 PAW_RPBE O 08Apr2002
 6.00000000000000000
 parameters from PSCTR are:
   VRHFIN =O: s2p4
   LEXCH  = PE
   EATOM  =   432.3788 eV,   31.7789 Ry

   TITEL  = PAW_RPBE O 08Apr2002
   LULTRA =        F    use ultrasoft PP ?
   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no
   RPACOR =     .000    partial core radius
   POMASS =   16.000; ZVAL   =    6.000    mass and valenz
   RCORE  =    1.520    outmost cutoff radius
   RWIGS  =    1.550; RWIGS  =     .820    wigner-seitz radius (au A)
   ENMAX  =  400.000; ENMIN  =  300.000 eV
   ICORE  =        2    local potential
   LCOR   =        T    correct aug charges
   LPAW   =        T    paw PP
   EAUG   =  605.392
   DEXC   =     .000
   RMAX   =    2.264    core radius for proj-oper
   RAUG   =    1.300    factor for augmentation sphere
   RDEP   =    1.550    radius for radial grids
   QCUT   =   -5.520; QGAM   =   11.041    optimization parameters
 
   Description
     l     E      TYP  RCUT    TYP  RCUT
     0   .000     23  1.200
     0  -.700     23  1.200
     1   .000     23  1.520
     1   .600     23  1.520
     2   .000      7  1.500
   Error from kinetic energy argument (eV)
   NDATA  =      100
   STEP   =   20.000   1.050
  163.      160.      159.      156.      154.      151.      148.      146.
  142.      139.      137.      134.      130.      126.      123.      119.
  115.      111.      108.      102.      98.8      95.2      90.0      86.6
  83.2      78.3      73.5      70.4      65.9      61.6      57.4      53.4
  49.6      46.0      42.6      39.3      35.3      32.4      28.9      26.4
  23.4      20.6      18.1      15.8      13.7      11.9      10.3      8.47
  7.22      5.87      4.73      3.95      3.13      2.45      1.80      1.37
  1.03      .721      .493      .329      .215      .138      .882E-01  .534E-01
  .367E-01  .267E-01  .223E-01  .205E-01  .193E-01  .181E-01  .162E-01  .138E-01
  .112E-01  .878E-02  .646E-02  .490E-02  .370E-02  .300E-02  .259E-02  .238E-02
  .219E-02  .196E-02  .167E-02  .132E-02  .100E-02  .764E-03  .617E-03  .544E-03
  .522E-03  .507E-03  .467E-03  .403E-03  .312E-03  .236E-03  .181E-03  .157E-03
  .152E-03  .150E-03  .139E-03  .118E-03
END of PSCTR-controll parameters
 local part
 122.832189257630020
   .23155445E+02   .23152693E+02   .23149261E+02   .23143544E+02   .23135541E+02
   .23125253E+02   .23112681E+02   .23097823E+02   .23080677E+02   .23061237E+02
   .23039495E+02   .23015440E+02   .22989059E+02   .22960335E+02   .22929249E+02
   .22895777E+02   .22859896E+02   .22821578E+02   .22780793E+02   .22737509E+02
   .22691690E+02   .22643299E+02   .22592293E+02   .22538630E+02   .22482260E+02
   .22423132E+02   .22361190E+02   .22296376E+02   .22228625E+02   .22157873E+02
   .22084048E+02   .22007079E+02   .21926890E+02   .21843403E+02   .21756538E+02
   .21666211E+02   .21572340E+02   .21474838E+02   .21373619E+02   .21268597E+02
   .21159684E+02   .21046794E+02   .20929842E+02   .20808743E+02   .20683417E+02
   .20553785E+02   .20419772E+02   .20281308E+02   .20138327E+02   .19990769E+02
   .19838580E+02   .19681713E+02   .19520129E+02   .19353797E+02   .19182693E+02
   .19006804E+02   .18826128E+02   .18640671E+02   .18450451E+02   .18255500E+02
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   .72844301E+00   .72265218E+00   .71691014E+00   .71122715E+00   .70561310E+00
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   .65066125E+00   .64642082E+00   .64231605E+00   .63834605E+00   .63450904E+00
   .63080240E+00   .62722268E+00   .62376568E+00   .62042644E+00   .61719934E+00
   .61407817E+00   .61105614E+00   .60812599E+00   .60528004E+00   .60251030E+00
   .59980849E+00   .59716614E+00   .59457468E+00   .59202550E+00   .58951003E+00
   .58701980E+00   .58454654E+00   .58208221E+00   .57961910E+00   .57714987E+00
   .57466763E+00   .57216594E+00   .56963895E+00   .56708132E+00   .56448837E+00
   .56185603E+00   .55918091E+00   .55646027E+00   .55369208E+00   .55087499E+00
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   .11119104E+00   .11097329E+00   .11075431E+00   .11053359E+00   .11031063E+00
   .11008499E+00   .10985625E+00   .10962403E+00   .10938800E+00   .10914789E+00
   .10890345E+00   .10865450E+00   .10840093E+00   .10814264E+00   .10787962E+00
   .10761191E+00   .10733958E+00   .10706278E+00   .10678170E+00   .10649658E+00
   .10620769E+00   .10591537E+00   .10561998E+00   .10532192E+00   .10502162E+00
   .10471954E+00   .10441617E+00   .10411201E+00   .10380756E+00   .10350335E+00
   .10319991E+00   .10289777E+00   .10259743E+00   .10229940E+00   .10200418E+00
   .10171222E+00   .10142397E+00   .10113985E+00   .10086023E+00   .10058546E+00
   .10031584E+00   .10005162E+00   .99793034E-01   .99540245E-01   .99293377E-01
   .99052504E-01   .98817651E-01   .98588793E-01   .98365858E-01   .98148724E-01
   .97937225E-01   .97731147E-01   .97530237E-01   .97334202E-01   .97142709E-01
   .96955397E-01   .96771871E-01   .96591713E-01   .96414480E-01   .96239713E-01
   .96066940E-01   .95895679E-01   .95725442E-01   .95555746E-01   .95386107E-01
   .95216055E-01   .95045131E-01   .94872896E-01   .94698932E-01   .94522846E-01
   .94344276E-01   .94162891E-01   .93978395E-01   .93790532E-01   .93599082E-01
   .93403871E-01   .93204764E-01   .93001674E-01   .92794556E-01   .92583411E-01
   .92368286E-01   .92149271E-01   .91926498E-01   .91700141E-01   .91470413E-01
   .91237566E-01   .91001884E-01   .90763683E-01   .90523308E-01   .90281128E-01
   .90037534E-01   .89792935E-01   .89547752E-01   .89302418E-01   .89057370E-01
   .88813047E-01   .88569884E-01   .88328311E-01   .88088743E-01   .87851584E-01
   .87617217E-01   .87386003E-01   .87158276E-01   .86934344E-01   .86714482E-01
   .86498932E-01   .86287900E-01   .86081555E-01   .85880026E-01   .85683402E-01
   .85491732E-01   .85305023E-01   .85123242E-01   .84946313E-01   .84774125E-01
   .84606523E-01   .84443320E-01   .84284292E-01   .84129183E-01   .83977708E-01
   .83829555E-01   .83684387E-01   .83541847E-01   .83401561E-01   .83263141E-01
   .83126188E-01   .82990297E-01   .82855060E-01   .82720073E-01   .82584933E-01
   .82449250E-01   .82312643E-01   .82174750E-01   .82035227E-01   .81893753E-01
   .81750031E-01   .81603794E-01   .81454803E-01   .81302851E-01   .81147768E-01
   .80989416E-01   .80827694E-01   .80662540E-01   .80493929E-01   .80321872E-01
   .80146420E-01   .79967660E-01   .79785713E-01   .79600737E-01   .79412920E-01
   .79222482E-01   .79029671E-01   .78834760E-01   .78638045E-01   .78439844E-01
   .78240491E-01   .78040334E-01   .77839732E-01   .77639049E-01   .77438658E-01
   .77238926E-01   .77040221E-01   .76842902E-01   .76647319E-01   .76453807E-01
   .76262685E-01   .76074254E-01   .75888790E-01   .75706547E-01   .75527750E-01
   .75352598E-01   .75181256E-01   .75013859E-01   .74850509E-01   .74691274E-01
   .74536187E-01   .74385246E-01   .74238414E-01   .74095622E-01   .73956766E-01
   .73821710E-01   .73690288E-01   .73562306E-01   .73437542E-01   .73315749E-01
   .73196658E-01   .73079982E-01   .72965415E-01   .72852638E-01   .72741320E-01
   .72631122E-01   .72521701E-01   .72412713E-01   .72303815E-01   .72194667E-01
 gradient corrections used for XC
 5
 atomic pseudo charge-density
   .60000000E+01   .59917682E+01   .59671789E+01   .59265479E+01   .58703891E+01
   .57993990E+01   .57144341E+01   .56164855E+01   .55066511E+01   .53861066E+01
   .52560766E+01   .51178084E+01   .49725469E+01   .48215134E+01   .46658876E+01
   .45067929E+01   .43452859E+01   .41823479E+01   .40188803E+01   .38557025E+01
   .36935506E+01   .35330797E+01   .33748662E+01   .32194109E+01   .30671444E+01
   .29184307E+01   .27735730E+01   .26328185E+01   .24963632E+01   .23643571E+01
   .22369087E+01   .21140897E+01   .19959388E+01   .18824658E+01   .17736551E+01
   .16694691E+01   .15698510E+01   .14747279E+01   .13840130E+01   .12976078E+01
   .12154045E+01   .11372872E+01   .10631344E+01   .99281940E+00   .92621249E+00
   .86318152E+00   .80359313E+00   .74731357E+00   .69420942E+00   .64414831E+00
   .59699943E+00   .55263402E+00   .51092580E+00   .47175127E+00   .43498998E+00
   .40052480E+00   .36824205E+00   .33803164E+00   .30978717E+00   .28340598E+00
   .25878921E+00   .23584178E+00   .21447237E+00   .19459343E+00   .17612108E+00
   .15897509E+00   .14307879E+00   .12835897E+00   .11474584E+00   .10217290E+00
   .90576828E-01   .79897428E-01   .70077479E-01   .61062654E-01   .52801404E-01
   .45244856E-01   .38346707E-01   .32063120E-01   .26352622E-01   .21176003E-01
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   .43531967E-03   .43546591E-03   .43141669E-03   .42362876E-03   .41253930E-03
   .39856538E-03   .38210349E-03   .36352929E-03   .34319737E-03   .32144120E-03
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   .35584548E-04   .33879943E-04   .31984612E-04   .29921930E-04   .27715431E-04
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 24.7554104503838985 T
 Non local Part
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 1.10994077959183524 1.53342233373160219 1.53342233373160219 -0.291376959654070899
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 Non local Part
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 Reciprocal Space Part
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   .16617203E+01   .14302515E+01   .11604730E+01   .85694736E+00   .52484880E+00
   .16985417E+00  -.20197520E+00  -.58431776E+00  -.97071968E+00  -.13547235E+01
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   .44831599E+00   .47665573E+00   .48608716E+00   .47855846E+00   .45622663E+00
   .42139471E+00   .37644900E+00   .32379812E+00   .26581491E+00   .20478287E+00
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   .80273504E-01   .87905366E-01   .91829151E-01   .92200087E-01   .89278037E-01
 Real Space Part
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  -.95465606E+01  -.71812913E+01  -.48802088E+01  -.26735552E+01  -.58895310E+00
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   .82538163E+01   .90185169E+01   .95776756E+01   .99390140E+01   .10113561E+02
   .10115209E+02   .99602166E+01   .96666821E+01   .92540003E+01   .87423176E+01
   .81520050E+01   .75031602E+01   .68151530E+01   .61062235E+01   .53931413E+01
   .46909323E+01   .40126745E+01   .33693654E+01   .27698580E+01   .22208628E+01
   .17270086E+01   .12909577E+01   .91356460E+00   .59407062E+00   .33032511E+00
   .11902304E+00  -.44049687E-01  -.16377201E+00  -.24545238E+00  -.29460892E+00
  -.31677078E+00  -.31730480E+00  -.30127048E+00  -.27330483E+00  -.23753750E+00
  -.19753537E+00  -.15627485E+00  -.11613935E+00  -.78938581E-01  -.45946163E-01
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   .45097684E-01   .45315224E-01   .42977316E-01   .38806326E-01   .33472725E-01
   .27568557E-01   .21590035E-01   .15928553E-01   .10869144E-01   .65951677E-02
 PAW radial sets
 321 0.721520152002725790
(5E20.12)                                
 augmentation charges (non sperical)
  -.157752259102E+00   .256865056813E-01   .447401437060E-01   .282550287931E-02   .256865056813E-01
  -.513111026050E-02  -.610189826978E-02   .234333105778E-03   .447401437060E-01  -.610189826978E-02
   .206642369840E+00  -.512388802954E-01   .282550287931E-02   .234333105778E-03  -.512388802954E-01
   .161404628631E-01
 uccopancies in atom
   .199999999995E+01   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .133333333287E+01   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00
 grid
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   .820045895265E+00
 aepotential
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  -.992421844218E+02  -.101334585782E+03  -.103419980279E+03  -.105494836659E+03  -.107555186343E+03
  -.109596598129E+03  -.111614164704E+03  -.113602507280E+03  -.115555806133E+03  -.117467866281E+03
  -.119332228743E+03  -.121142338730E+03  -.122891782384E+03  -.124574603359E+03  -.126185709187E+03
  -.127721375786E+03  -.129179849068E+03  -.130562037348E+03  -.131872249654E+03  -.133118881188E+03
  -.134314825072E+03  -.135477192987E+03  -.136625659703E+03  -.137778518637E+03  -.138945648412E+03
  -.140118549526E+03  -.141259817826E+03  -.142297364032E+03  -.143130166505E+03  -.143649392083E+03
  -.143770896700E+03  -.143466650444E+03  -.142779438341E+03  -.141810639779E+03  -.140684648871E+03
  -.139508468373E+03  -.138347629848E+03  -.137225671915E+03  -.136138333179E+03  -.135069529969E+03
  -.134002012204E+03  -.132922043139E+03  -.131820225779E+03  -.130690626727E+03  -.129529519065E+03
  -.128334338388E+03  -.127103016727E+03  -.125833658340E+03  -.124524453614E+03  -.123173726082E+03
  -.121780032930E+03  -.120342269386E+03  -.118859752079E+03  -.117332272953E+03  -.115760124514E+03
  -.114144101237E+03  -.112485482930E+03  -.110786005302E+03  -.109047821948E+03  -.107273460804E+03
  -.105465777240E+03  -.103627905226E+03  -.101763207541E+03  -.998752256539E+02  -.979676297084E+02
  -.960441689068E+02  -.941086224963E+02  -.921647514802E+02  -.902162518570E+02  -.882667076453E+02
  -.863195480576E+02
 core charge-density
   .625549835994E-05   .666800504134E-05   .710770694600E-05   .757639628637E-05   .807598331802E-05
   .860850410778E-05   .917612881239E-05   .978117050118E-05   .104260945584E-04   .111135287033E-04
   .118462736682E-04   .126273145781E-04   .134598330771E-04   .143472202518E-04   .152930904017E-04
   .163012957151E-04   .173759419064E-04   .185214048808E-04   .197423484910E-04   .210437434593E-04
   .224308875404E-04   .239094270056E-04   .254853795358E-04   .271651586146E-04   .289555995192E-04
   .308639870146E-04   .328980848607E-04   .350661672522E-04   .373770523150E-04   .398401377963E-04
   .424654390887E-04   .452636297410E-04   .482460846186E-04   .514249258846E-04   .548130719857E-04
   .584242898380E-04   .622732504215E-04   .663755880027E-04   .707479632232E-04   .754081303033E-04
   .803750086285E-04   .856687590020E-04   .913108648668E-04   .973242188169E-04   .103733214742E-03
   .110563845969E-03   .117843809786E-03   .125602618763E-03   .133871719311E-03   .142684617931E-03
   .152077015675E-03   .162086951316E-03   .172754953815E-03   .184124204661E-03   .196240710731E-03
   .209153488342E-03   .222914759203E-03   .237580159043E-03   .253208959714E-03   .269864305635E-03
   .287613465490E-03   .306528100151E-03   .326684547867E-03   .348164127795E-03   .371053463070E-03
   .395444824619E-03   .421436497058E-03   .449133168056E-03   .478646342645E-03   .510094784058E-03
   .543604982759E-03   .579311655433E-03   .617358275824E-03   .657897639406E-03   .701092464009E-03
   .747116028632E-03   .796152852835E-03   .848399419223E-03   .904064941684E-03   .963372182234E-03
   .102655831945E-02   .109387587165E-02   .116559367828E-02   .124199794286E-02   .132339334157E-02
   .141010420110E-02   .150247575032E-02   .160087545001E-02   .170569440540E-02   .181734886664E-02
   .193628182230E-02   .206296469151E-02   .219789912070E-02   .234161889100E-02   .249469194297E-02
   .265772252544E-02   .283135347583E-02   .301626863953E-02   .321319543645E-02   .342290758323E-02
   .364622797998E-02   .388403177110E-02   .413724958987E-02   .440687099725E-02   .469394812583E-02
   .499959954031E-02   .532501432642E-02   .567145642088E-02   .604026919554E-02   .643288030937E-02
   .685080684263E-02   .729566072830E-02   .776915449617E-02   .827310734610E-02   .880945156718E-02
   .938023932048E-02   .998764980358E-02   .106339968159E-01   .113217367443E-01   .120534769893E-01
   .128319848529E-01   .136601969090E-01   .145412288792E-01   .154783860366E-01   .164751741595E-01
   .175353110613E-01   .186627387172E-01   .198616360155E-01   .211364321554E-01   .224918207178E-01
   .239327744331E-01   .254645606710E-01   .270927576767E-01   .288232715768E-01   .306623541799E-01
   .326166215923E-01   .346930736722E-01   .368991143409E-01   .392425727696E-01   .417317254593E-01
   .443753192252E-01   .471825950990E-01   .501633131551E-01   .533277782643E-01   .566868667757E-01
   .602520541187E-01   .640354433157E-01   .680497943852E-01   .723085546110E-01   .768258896433E-01
   .816167153881E-01   .866967306317E-01   .920824503355E-01   .977912395230E-01   .103841347667E+00
   .110251943473E+00   .117043149927E+00   .124236079476E+00   .131852869168E+00   .139916715573E+00
   .148451909274E+00   .157483868688E+00   .167039172970E+00   .177145593679E+00   .187832124907E+00
   .199129011493E+00   .211067774932E+00   .223681236533E+00   .237003537347E+00   .251070154350E+00
   .265917912286E+00   .281584990564E+00   .298110924537E+00   .315536600407E+00   .333904243004E+00
   .353257395572E+00   .373640890661E+00   .395100811173E+00   .417684440517E+00   .441440200801E+00
   .466417577909E+00   .492667032246E+00   .520239893902E+00   .549188240900E+00   .579564759170E+00
   .611422582830E+00   .644815113329E+00   .679795815970E+00   .716417992322E+00   .754734527020E+00
   .794797607463E+00   .836658414955E+00   .880366785870E+00   .925970841497E+00   .973516585329E+00
   .102304746666E+01   .107460390956E+01   .112822280638E+01   .118393697538E+01   .124177458210E+01
   .130175852453E+01   .136390578269E+01   .142822673320E+01   .149472443039E+01   .156339385578E+01
   .163422113833E+01   .170718274867E+01   .178224467121E+01   .185936155863E+01   .193847587451E+01
   .201951703024E+01   .210240052383E+01   .218702708883E+01   .227328186302E+01   .236103358719E+01
   .245013384581E+01   .254041636236E+01   .263169636304E+01   .272377002387E+01   .281641401710E+01
   .290938517367E+01   .300242027945E+01   .309523602333E+01   .318752911609E+01   .327897659887E+01
   .336923636007E+01   .345794787948E+01   .354473321719E+01   .362919826436E+01   .371093427085E+01
   .378951966301E+01   .386452216249E+01   .393550121345E+01   .400201072252E+01   .406360211102E+01
   .411982767477E+01   .417024424100E+01   .421441710619E+01   .425192423234E+01   .428236067202E+01
   .430534318581E+01   .432051500785E+01   .432755070794E+01   .432616109105E+01   .431609806767E+01
   .429715942168E+01   .426919339592E+01   .423210301053E+01   .418585002452E+01   .413045844838E+01
   .406601751409E+01   .399268400981E+01   .391068388909E+01   .382031307013E+01   .372193734800E+01
   .361599135397E+01   .350297650932E+01   .338345793746E+01   .325806031784E+01   .312746268671E+01
   .299239221437E+01   .285361701458E+01   .271193806915E+01   .256818037860E+01   .242318347665E+01
   .227779147070E+01   .213284279909E+01   .198915989658E+01   .184753899553E+01   .170874027411E+01
   .157347856698E+01   .144241483371E+01   .131614854842E+01   .119521112569E+01   .108006043765E+01
   .971076418067E+00   .868557721402E+00   .772719447114E+00   .683692073759E+00   .601521935591E+00
   .526173696431E+00   .457535189769E+00   .395424650783E+00   .339599878201E+00   .289768462616E+00
   .245598123128E+00   .206726459316E+00   .172769862786E+00   .143331658667E+00   .118009628694E+00
   .964029802611E-01   .781187114291E-01   .627772595572E-01   .500173176187E-01   .394997339384E-01
   .309104557903E-01   .239625219489E-01   .183971482330E-01   .139839814991E-01   .105206211709E-01
   .783152347062E-02   .576641243399E-02   .419832401429E-02   .302140579039E-02   .214858584976E-02
   .150921140926E-02   .104674188219E-02   .716563673537E-03   .483976205693E-03   .322381627428E-03
   .211695211051E-03   .136980222199E-03   .873004178539E-04   .547754089416E-04   .338188194079E-04
   .205362239785E-04   .122588804757E-04   .718986054261E-05   .414088618653E-05   .234058876995E-05
   .129766794578E-05
 kinetic energy-density
   .132176025795E+00   .133935190758E+00   .135761668823E+00   .137658262485E+00   .139627986720E+00
   .141674035833E+00   .143799794426E+00   .146008844928E+00   .148304976284E+00   .150692193057E+00
   .153174724964E+00   .155757037169E+00   .158443841093E+00   .161240106033E+00   .164151071593E+00
   .167182260952E+00   .170339495149E+00   .173628908334E+00   .177056964154E+00   .180630473327E+00
   .184356612448E+00   .188242944155E+00   .192297438694E+00   .196528496986E+00   .200944975290E+00
   .205556211542E+00   .210372053444E+00   .215402888447E+00   .220659675688E+00   .226153980051E+00
   .231898008388E+00   .237904648105E+00   .244187508236E+00   .250760963072E+00   .257640198646E+00
   .264841262088E+00   .272381114163E+00   .280277685096E+00   .288549933816E+00   .297217911178E+00
   .306302826851E+00   .315827120668E+00   .325814538349E+00   .336290211906E+00   .347280745353E+00
   .358814305519E+00   .370920718749E+00   .383631573741E+00   .396980330632E+00   .411002437249E+00
   .425735452489E+00   .441219177486E+00   .457495795227E+00   .474610018769E+00   .492609248970E+00
   .511543742045E+00   .531466787872E+00   .552434899374E+00   .574508014020E+00   .597749707978E+00
   .622227423754E+00   .648012712331E+00   .675181490499E+00   .703814314438E+00   .733996670649E+00
   .765819285087E+00   .799378452009E+00   .834776383364E+00   .872121580296E+00   .911529228018E+00
   .953121615574E+00   .997028581984E+00   .104338799046E+01   .109234623230E+01   .114405876274E+01
   .119869066993E+01   .125641728002E+01   .131742479982E+01   .138191099985E+01   .145008593986E+01
   .152217273989E+01   .159840839916E+01   .167904466597E+01   .176434896181E+01   .185460536262E+01
   .195011564109E+01   .205120037326E+01   .215820011361E+01   .227147664259E+01   .239141429086E+01
   .251842134511E+01   .265293153969E+01   .279540564002E+01   .294633312225E+01   .310623395535E+01
   .327566049175E+01   .345519947206E+01   .364547415152E+01   .384714655437E+01   .406091986370E+01
   .428754095473E+01   .452780307932E+01   .478254871036E+01   .505267255494E+01   .533912474579E+01
   .564291422071E+01   .596511230019E+01   .630685647417E+01   .666935440928E+01   .705388818805E+01
   .746181879232E+01   .789459084458E+01   .835373761891E+01   .884088633706E+01   .935776376336E+01
   .990620211314E+01   .104881452909E+02   .111056554739E+02   .117609200576E+02   .124562589809E+02
   .131941324473E+02   .139771490622E+02   .148080744026E+02   .156898400404E+02   .166255530370E+02
   .176185059297E+02   .186721872297E+02   .197902924519E+02   .209767356968E+02   .222356618045E+02
   .235714591012E+02   .249887727582E+02   .264925187826E+02   .280878986594E+02   .297804146618E+02
   .315758858496E+02   .334804647683E+02   .355006548677E+02   .376433286489E+02   .399157465539E+02
   .423255766040E+02   .448809147943E+02   .475903062448E+02   .504627671092E+02   .535078072330E+02
   .567354535528E+02   .601562742178E+02   .637814034155E+02   .676225668666E+02   .716921079591E+02
   .760030144672E+02   .805689458084E+02   .854042607667E+02   .905240456056E+02   .959441424815E+02
   .101681178049E+03   .107752592143E+03   .114176666392E+03   .120972552609E+03   .128160300793E+03
   .135760886523E+03   .143796237537E+03   .152289259245E+03   .161263858899E+03   .170744968109E+03
   .180758563383E+03   .191331684306E+03   .202492448959E+03   .214270066138E+03   .226694843879E+03
   .239798193771E+03   .253612630490E+03   .268171765933E+03   .283510297290E+03   .299663988351E+03
   .316669643277E+03   .334565072038E+03   .353389046636E+03   .373181247220E+03   .393982197127E+03
   .415833185818E+03   .438776178681E+03   .462853712577E+03   .488108776000E+03   .514584672670E+03
   .542324867365E+03   .571372812760E+03   .601771756058E+03   .633564524166E+03   .666793286221E+03
   .701499292269E+03   .737722586982E+03   .775501697325E+03   .814873293226E+03   .855871820381E+03
   .898529104489E+03   .942873926389E+03   .988931567784E+03   .103672332747E+04   .108626600830E+04
   .113757137544E+04   .119064558683E+04   .124548859720E+04   .130209353751E+04   .136044607208E+04
   .142052373640E+04   .148229525921E+04   .154571987295E+04   .161074661763E+04   .167731364382E+04
   .174534752129E+04   .181476256062E+04   .188546015605E+04   .195732815867E+04   .203024028995E+04
   .210405560636E+04   .217861802691E+04   .225375593595E+04   .232928187445E+04   .240499233356E+04
   .248066766472E+04   .255607212096E+04   .263095404408E+04   .270504621268E+04   .277806636514E+04
   .284971791180E+04   .291969084901E+04   .298766288709E+04   .305330080234E+04   .311626202128E+04
   .317619644332E+04   .323274850470E+04   .328555948400E+04   .333427004551E+04   .337852301282E+04
   .341796636105E+04   .345225641087E+04   .348106120307E+04   .350406402702E+04   .352096707125E+04
   .353149515895E+04   .353539952622E+04   .353246159564E+04   .352249669327E+04   .350535765276E+04
   .348093824682E+04   .344917638314E+04   .341005700022E+04   .336361459689E+04   .330993533011E+04
   .324915861635E+04   .318147817463E+04   .310714245333E+04   .302645438806E+04   .293977044482E+04
   .284749891086E+04   .275009740545E+04   .264806959424E+04   .254196110373E+04   .243235464705E+04
   .231986438895E+04   .220512959614E+04   .208880763954E+04   .197156643697E+04   .185407644573E+04
   .173700236837E+04   .162099461974E+04   .150668097393E+04   .139465831045E+04   .128548489127E+04
   .117967334783E+04   .107768468195E+04   .979923607561E+03   .886735573996E+03   .798405745392E+03
   .715159972906E+03   .637167313519E+03   .564542994768E+03   .497350259215E+03   .435599806459E+03
   .379246858276E+03   .328187667685E+03   .282258420739E+03   .241239058244E+03   .204862611625E+03
   .172828208383E+03   .144814513432E+03   .120490951119E+03   .995258554820E+02   .815921605138E+02
   .663716392437E+02   .535583897932E+02   .428618420638E+02   .340093008571E+02   .267479559883E+02
   .208462991666E+02   .160949283081E+02   .123067613777E+02   .931671330706E+01   .698090988085E+01
   .517552365756E+01   .379532122669E+01   .275201013792E+01   .197246887711E+01   .139693522036E+01
   .977217978443E+00   .674985355080E+00   .460170689103E+00   .309524004753E+00   .205326232749E+00
   .134272726203E+00   .865241474580E-01   .549161358338E-01   .343144068647E-01   .210989666792E-01
   .127597318321E-01   .758574113557E-02   .443101963639E-02   .254169787533E-02   .143092283623E-02
   .790186700406E-03
 pspotential
  -.153267498751E+03  -.153268334719E+03  -.153269144358E+03  -.153269928498E+03  -.153270687940E+03
  -.153271423465E+03  -.153272135824E+03  -.153272825746E+03  -.153273493938E+03  -.153274141086E+03
  -.153274767850E+03  -.153275374873E+03  -.153275962777E+03  -.153276532163E+03  -.153277083615E+03
  -.153277617698E+03  -.153278134957E+03  -.153278635922E+03  -.153279121108E+03  -.153279591009E+03
  -.153280046109E+03  -.153280486871E+03  -.153280913748E+03  -.153281327177E+03  -.153281727581E+03
  -.153282115370E+03  -.153282490940E+03  -.153282854677E+03  -.153283206952E+03  -.153283548126E+03
  -.153283878548E+03  -.153284198557E+03  -.153284508479E+03  -.153284808632E+03  -.153285099324E+03
  -.153285380850E+03  -.153285653501E+03  -.153285917553E+03  -.153286173278E+03  -.153286420936E+03
  -.153286660782E+03  -.153286893059E+03  -.153287118007E+03  -.153287335853E+03  -.153287546822E+03
  -.153287751128E+03  -.153287948980E+03  -.153288140580E+03  -.153288326123E+03  -.153288505800E+03
  -.153288679792E+03  -.153288848278E+03  -.153289011428E+03  -.153289169410E+03  -.153289322383E+03
  -.153289470504E+03  -.153289613923E+03  -.153289752785E+03  -.153289887232E+03  -.153290017399E+03
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  -.863187908432E+02
 core charge-density (pseudized)
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   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
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   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
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   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
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   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
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   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00
 pseudo wavefunction
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   .194334896081E-03   .200654182042E-03   .207178955413E-03   .213915898130E-03   .220871909412E-03
   .228054112820E-03   .235469863558E-03   .243126756002E-03   .251032631476E-03   .259195586288E-03
   .267623980014E-03   .276326444066E-03   .285311890524E-03   .294589521270E-03   .304168837407E-03
   .314059648988E-03   .324272085066E-03   .334816604067E-03   .345704004495E-03   .356945435997E-03
   .368552410777E-03   .380536815389E-03   .392910922904E-03   .405687405487E-03   .418879347365E-03
   .432500258235E-03   .446564087093E-03   .461085236521E-03   .476078577438E-03   .491559464327E-03
   .507543750959E-03   .524047806630E-03   .541088532924E-03   .558683381021E-03   .576850369569E-03
   .595608103136E-03   .614975791265E-03   .634973268142E-03   .655621012910E-03   .676940170642E-03
   .698952573993E-03   .721680765562E-03   .745148020973E-03   .769378372712E-03   .794396634742E-03
   .820228427910E-03   .846900206184E-03   .874439283748E-03   .902873862971E-03   .932233063289E-03
   .962546951024E-03   .993846570176E-03   .102616397421E-02   .105953225889E-02   .109398559615E-02
   .112955926913E-02   .116628970826E-02   .120421452859E-02   .124337256831E-02   .128380392853E-02
   .132555001431E-02   .136865357713E-02   .141315875859E-02   .145911113565E-02   .150655776733E-02
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   .182545142368E-02   .188481050614E-02   .194609979345E-02   .200938205063E-02   .207472208357E-02
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   .770462954092E-02   .795516157261E-02   .821383994844E-02   .848092953369E-02   .875670380303E-02
   .904144512013E-02   .933544502630E-02   .963900453860E-02   .995243445741E-02   .102760556841E-01
   .106101995490E-01   .109552081499E-01   .113114347013E-01   .116792438955E-01   .120590122749E-01
   .124511286162E-01   .128559943277E-01   .132740238587E-01   .137056451223E-01   .141512999320E-01
   .146114444525E-01   .150865496644E-01   .155771018444E-01   .160836030610E-01   .166065716853E-01
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   .201214185942E-01   .207756581406E-01   .214511660017E-01   .221486331730E-01   .228687730598E-01
   .236123221990E-01   .243800410052E-01   .251727145395E-01   .259911533031E-01   .268361940553E-01
   .277087006579E-01   .286095649458E-01   .295397076241E-01   .305000791949E-01   .314916609108E-01
   .325154657596E-01   .335725394789E-01   .346639616015E-01   .357908465336E-01   .369543446654E-01
   .381556435158E-01   .393959689112E-01   .406765862011E-01   .419988015081E-01   .433639630173E-01
   .447734623020E-01   .462287356896E-01   .477312656669E-01   .492825823258E-01   .508842648510E-01
   .525379430496E-01   .542452989239E-01   .560080682881E-01   .578280424287E-01   .597070698116E-01
   .616470578325E-01   .636499746161E-01   .657178508593E-01   .678527817232E-01   .700569287714E-01
   .723325219554E-01   .746818616470E-01   .771073207187E-01   .796113466687E-01   .821964637939E-01
   .848652754061E-01   .876204660936E-01   .904648040245E-01   .934011432916E-01   .964324262953E-01
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   .302466644194E+00   .312098936569E+00   .322024156685E+00   .332249816565E+00   .342783475014E+00
   .353632720169E+00   .364805149715E+00   .376308348564E+00   .388149863728E+00   .400337176150E+00
   .412877669191E+00   .425778593474E+00   .439047027769E+00   .452689835565E+00   .466713616955E+00
   .481124655463E+00   .495928859375E+00   .511131697159E+00   .526738126515E+00   .542752516577E+00
   .559178562785E+00   .576019193926E+00   .593276470840E+00   .610951476266E+00   .629044195346E+00
   .647553386288E+00   .666476440712E+00   .685809233285E+00   .705545960242E+00   .725678966536E+00
   .746198561387E+00   .767092822191E+00   .788347386848E+00   .809945234816E+00   .831866457373E+00
   .854088017907E+00   .876583503344E+00   .899322868247E+00   .922272173564E+00   .945393322553E+00
   .968643796991E+00   .991976397530E+00   .101533899278E+01   .103867428264E+01   .106191958231E+01
   .108500663448E+01   .110786145843E+01   .113040424569E+01   .115254931351E+01   .117420512822E+01
   .119527441206E+01   .121565434786E+01   .123523689697E+01   .125390924631E+01   .127155440041E+01
   .128805193389E+01   .130327891850E+01   .131711103614E+01   .132942388590E+01   .134009448735E+01
   .134900297496E+01   .135603446881E+01   .136108109375E+01   .136404410364E+01   .136483604759E+01
   .136338289235E+01   .135962598792E+01   .135352373274E+01   .134505276160E+01   .133420844359E+01
   .132100444141E+01   .130547105033E+01   .128765200718E+01   .126759944388E+01   .124536666092E+01
   .122099842355E+01   .119451854586E+01   .116591463800E+01   .113513192355E+01   .110229857916E+01
   .106760690066E+01   .103126913660E+01   .993503299915E+00   .954531323645E+00   .914577215088E+00
   .873865221786E+00
 ae wavefunction
  -.779383096528E-03  -.804670312887E-03  -.830777581751E-03  -.857731471485E-03  -.885559409570E-03
  -.914289710274E-03  -.943951603198E-03  -.974575262735E-03  -.100619183847E-02  -.103883348655E-02
  -.107253340205E-02  -.110732585237E-02  -.114324621168E-02  -.118033099650E-02  -.121861790238E-02
  -.125814584174E-02  -.129895498293E-02  -.134108679051E-02  -.138458406684E-02  -.142949099492E-02
  -.147585318269E-02  -.152371770861E-02  -.157313316876E-02  -.162414972543E-02  -.167681915716E-02
  -.173119491046E-02  -.178733215307E-02  -.184528782898E-02  -.190512071508E-02  -.196689147963E-02
  -.203066274263E-02  -.209649913792E-02  -.216446737738E-02  -.223463631706E-02  -.230707702532E-02
  -.238186285320E-02  -.245906950689E-02  -.253877512250E-02  -.262106034307E-02  -.270600839809E-02
  -.279370518532E-02  -.288423935523E-02  -.297770239805E-02  -.307418873338E-02  -.317379580270E-02
  -.327662416455E-02  -.338277759273E-02  -.349236317747E-02  -.360549142956E-02  -.372227638785E-02
  -.384283572975E-02  -.396729088528E-02  -.409576715439E-02  -.422839382787E-02  -.436530431191E-02
  -.450663625628E-02  -.465253168635E-02  -.480313713910E-02  -.495860380302E-02  -.511908766224E-02
  -.528474964477E-02  -.545575577518E-02  -.563227733166E-02  -.581449100761E-02  -.600257907796E-02
  -.619672957020E-02  -.639713644035E-02  -.660399975388E-02  -.681752587179E-02  -.703792764195E-02
  -.726542459571E-02  -.750024315008E-02  -.774261681542E-02  -.799278640894E-02  -.825100027389E-02
  -.851751450485E-02  -.879259317897E-02  -.907650859340E-02  -.936954150911E-02  -.967198140099E-02
  -.998412671452E-02  -.103062851291E-01  -.106387738280E-01  -.109819197754E-01  -.113360599999E-01
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  -.188163395071E-01  -.194202217343E-01  -.200432525764E-01  -.206860238705E-01  -.213491447237E-01
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  -.257916073683E-01  -.266157735405E-01  -.274658371825E-01  -.283425830349E-01  -.292468176777E-01
  -.301793700053E-01  -.311410917014E-01  -.321328577144E-01  -.331555667305E-01  -.342101416451E-01
  -.352975300301E-01  -.364187045964E-01  -.375746636502E-01  -.387664315412E-01  -.399950591018E-01
  -.412616240742E-01  -.425672315256E-01  -.439130142467E-01  -.453001331341E-01  -.467297775521E-01
  -.482031656720E-01  -.497215447865E-01  -.512861915962E-01  -.528984124638E-01  -.545595436345E-01
  -.562709514173E-01  -.580340323242E-01  -.598502131628E-01  -.617209510776E-01  -.636477335360E-01
  -.656320782528E-01  -.676755330486E-01  -.697796756363E-01  -.719461133288E-01  -.741764826622E-01
  -.764724489270E-01  -.788357056004E-01  -.812679736711E-01  -.837710008495E-01  -.863465606530E-01
  -.889964513581E-01  -.917224948098E-01  -.945265350766E-01  -.974104369411E-01  -.100376084214E+00
  -.103425377862E+00  -.106560233929E+00  -.109782581249E+00  -.113094358924E+00  -.116497513566E+00
  -.119993996267E+00  -.123585759308E+00  -.127274752560E+00  -.131062919588E+00  -.134952193412E+00
  -.138944491932E+00  -.143041712971E+00  -.147245728938E+00  -.151558381071E+00  -.155981473248E+00
  -.160516765342E+00  -.165165966088E+00  -.169930725446E+00  -.174812626431E+00  -.179813176378E+00
  -.184933797634E+00  -.190175817616E+00  -.195540458251E+00  -.201028824724E+00  -.206641893546E+00
  -.212380499881E+00  -.218245324131E+00  -.224236877725E+00  -.230355488105E+00  -.236601282866E+00
  -.242974173035E+00  -.249473835456E+00  -.256099694256E+00  -.262850901371E+00  -.269726316115E+00
  -.276724483765E+00  -.283843613151E+00  -.291081553233E+00  -.298435768663E+00  -.305903314322E+00
  -.313480808822E+00  -.321164407001E+00  -.328949771388E+00  -.336832042685E+00  -.344805809276E+00
  -.352865075782E+00  -.361003230735E+00  -.369213013385E+00  -.377486479727E+00  -.385814967803E+00
  -.394189062379E+00  -.402598559074E+00  -.411032428077E+00  -.419478777565E+00  -.427924816961E+00
  -.436356820221E+00  -.444760089293E+00  -.453118917987E+00  -.461416556449E+00  -.469635176497E+00
  -.477755838092E+00  -.485758457214E+00  -.493621775488E+00  -.501323331879E+00  -.508839436836E+00
  -.516145149286E+00  -.523214256890E+00  -.530019260023E+00  -.536531359954E+00  -.542720451743E+00
  -.548555122378E+00  -.554002654726E+00  -.559029037887E+00  -.563598984561E+00  -.567675956067E+00
  -.571222195686E+00  -.574198770982E+00  -.576565625816E+00  -.578281642748E+00  -.579304716540E+00
  -.579591839480E+00  -.579099199228E+00  -.577782289902E+00  -.575596037067E+00  -.572494937302E+00
  -.568433212954E+00  -.563364982657E+00  -.557244448127E+00  -.550026097668E+00  -.541664926755E+00
  -.532116675918E+00  -.521338086057E+00  -.509287171175E+00  -.495923508326E+00  -.481208544420E+00
  -.465105919304E+00  -.447581804307E+00  -.428605255216E+00  -.408148578344E+00  -.386187708121E+00
  -.362702594311E+00  -.337677596716E+00  -.311101884914E+00  -.282969840345E+00  -.253281457808E+00
  -.222042743227E+00  -.189266104353E+00  -.154970730897E+00  -.119182960394E+00  -.819366258111E-01
  -.432733805088E-01  -.324299545533E-02   .380963775271E-01   .806779844544E-01   .124426300356E+00
   .169256927002E+00   .215076575501E+00   .261783156083E+00   .309265998475E+00   .357406219523E+00
   .406077232836E+00   .455145352347E+00   .504470381268E+00   .553906024273E+00   .603299959640E+00
   .652493503846E+00   .701320993687E+00   .749609226077E+00   .797177403836E+00   .843837924822E+00
   .889398035072E+00   .933662031769E+00   .976433575826E+00   .101751780301E+01   .105672315067E+01
   .109386297533E+01   .112875707838E+01   .116123322551E+01   .119112869576E+01   .121829185458E+01
   .124258372123E+01   .126387948974E+01   .128206996159E+01   .129706285239E+01   .130878394122E+01
   .131717803816E+01   .132220975218E+01   .132386404652E+01   .132214657395E+01   .131708378801E+01
   .130872283014E+01   .129713119621E+01   .128239618878E+01   .126462416508E+01   .124393959283E+01
   .122048392909E+01   .119441433896E+01   .116590227308E+01   .113513192355E+01   .110229857916E+01
   .106760690066E+01   .103126913660E+01   .993503299915E+00   .954531323645E+00   .914577215088E+00
   .873865221786E+00
 pseudo wavefunction
  -.412220112469E-04  -.425624482010E-04  -.439464728195E-04  -.453755024641E-04  -.468510005858E-04
  -.483744782236E-04  -.499474955513E-04  -.515716634757E-04  -.532486452866E-04  -.549801583594E-04
  -.567679759144E-04  -.586139288326E-04  -.605199075306E-04  -.624878638966E-04  -.645198132893E-04
  -.666178366018E-04  -.687840823927E-04  -.710207690860E-04  -.733301872437E-04  -.757147019107E-04
  -.781767550374E-04  -.807188679802E-04  -.833436440837E-04  -.860537713465E-04  -.888520251743E-04
  -.917412712218E-04  -.947244683276E-04  -.978046715442E-04  -.100985035267E-03  -.104268816463E-03
  -.107659378009E-03  -.111160192133E-03  -.114774843972E-03  -.118507035241E-03  -.122360588027E-03
  -.126339448699E-03  -.130447691954E-03  -.134689524986E-03  -.139069291798E-03  -.143591477648E-03
  -.148260713640E-03  -.153081781474E-03  -.158059618336E-03  -.163199321955E-03  -.168506155828E-03
  -.173985554604E-03  -.179643129654E-03  -.185484674815E-03  -.191516172325E-03  -.197743798948E-03
  -.204173932299E-03  -.210813157375E-03  -.217668273302E-03  -.224746300292E-03  -.232054486837E-03
  -.239600317127E-03  -.247391518721E-03  -.255436070452E-03  -.263742210605E-03  -.272318445350E-03
  -.281173557452E-03  -.290316615266E-03  -.299756982024E-03  -.309504325423E-03  -.319568627522E-03
  -.329960194969E-03  -.340689669551E-03  -.351768039092E-03  -.363206648708E-03  -.375017212419E-03
  -.387211825149E-03  -.399802975108E-03  -.412803556582E-03  -.426226883132E-03  -.440086701234E-03
  -.454397204349E-03  -.469173047458E-03  -.484429362069E-03  -.500181771710E-03  -.516446407924E-03
  -.533239926792E-03  -.550579525983E-03  -.568482962361E-03  -.586968570171E-03  -.606055279807E-03
  -.625762637196E-03  -.646110823808E-03  -.667120677320E-03  -.688813712947E-03  -.711212145472E-03
  -.734338911988E-03  -.758217695378E-03  -.782872948560E-03  -.808329919522E-03  -.834614677163E-03
  -.861754137983E-03  -.889776093630E-03  -.918709239353E-03  -.948583203367E-03  -.979428577181E-03
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  -.163429020713E-02  -.168743229878E-02  -.174230234307E-02  -.179895651908E-02  -.185745283172E-02
  -.191785117100E-02  -.198021337325E-02  -.204460328423E-02  -.211108682442E-02  -.217973205627E-02
  -.225060925375E-02  -.232379097404E-02  -.239935213163E-02  -.247737007471E-02  -.255792466414E-02
  -.264109835484E-02  -.272697627989E-02  -.281564633733E-02  -.290719927965E-02  -.300172880635E-02
  -.309933165926E-02  -.320010772105E-02  -.330416011687E-02  -.341159531922E-02  -.352252325622E-02
  -.363705742327E-02  -.375531499834E-02  -.387741696092E-02  -.400348821471E-02  -.413365771428E-02
  -.426805859572E-02  -.440682831139E-02  -.455010876899E-02  -.469804647501E-02  -.485079268268E-02
  -.500850354455E-02  -.517134026996E-02  -.533946928727E-02  -.551306241133E-02  -.569229701603E-02
  -.587735621227E-02  -.606842903139E-02  -.626571061432E-02  -.646940240646E-02  -.667971235858E-02
  -.689685513379E-02  -.712105232080E-02  -.735253265363E-02  -.759153223789E-02  -.783829478379E-02
  -.809307184612E-02  -.835612307119E-02  -.862771645107E-02  -.890812858518E-02  -.919764494940E-02
  -.949656017280E-02  -.980517832225E-02  -.101238131949E-01  -.104527886188E-01  -.107924387616E-01
  -.111431084476E-01  -.115051534833E-01  -.118789409908E-01  -.122648497510E-01  -.126632705538E-01
  -.130746065579E-01  -.134992736592E-01  -.139377008669E-01  -.143903306890E-01  -.148576195256E-01
  -.153400380707E-01  -.158380717219E-01  -.163522209980E-01  -.168830019638E-01  -.174309466622E-01
  -.179966035535E-01  -.185805379595E-01  -.191833325146E-01  -.198055876210E-01  -.204479219077E-01
  -.211109726928E-01  -.217953964482E-01  -.225018692639E-01  -.232310873126E-01  -.239837673115E-01
  -.247606469798E-01  -.255624854903E-01  -.263900639122E-01  -.272441856433E-01  -.281256768272E-01
  -.290353867542E-01  -.299741882405E-01  -.309429779831E-01  -.319426768846E-01  -.329742303434E-01
  -.340386085044E-01  -.351368064621E-01  -.362698444117E-01  -.374387677378E-01  -.386446470349E-01
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  -.467190927260E-01  -.482157205004E-01  -.497587474713E-01  -.513494549631E-01  -.529891432198E-01
  -.546791297580E-01  -.564207474440E-01  -.582153422637E-01  -.600642707520E-01  -.619688970453E-01
  -.639305895159E-01  -.659507169443E-01  -.680306441808E-01  -.701717272434E-01  -.723753077929E-01
  -.746427069221E-01  -.769752181897E-01  -.793740998211E-01  -.818405659956E-01  -.843757771268E-01
  -.869808290391E-01  -.896567409320E-01  -.924044420163E-01  -.952247566937E-01  -.981183881437E-01
  -.101085900167E+00  -.104127697127E+00  -.107244001807E+00  -.110434831009E+00  -.113699968673E+00
  -.117038936314E+00  -.120450960536E+00  -.123934937372E+00  -.127489393177E+00  -.131112441808E+00
  -.134801737757E+00  -.138554424943E+00  -.142367080808E+00  -.146235655364E+00  -.150155404816E+00
  -.154120819373E+00  -.158125544834E+00  -.162162297548E+00  -.166222772304E+00  -.170297542723E+00
  -.174375953731E+00  -.178446005655E+00  -.182494229536E+00  -.186505553254E+00  -.190463158067E+00
  -.194348325228E+00  -.198140272376E+00  -.201815979445E+00  -.205350003927E+00  -.208714285396E+00
  -.211877939310E+00  -.214807040213E+00  -.217464394627E+00  -.219809304039E+00  -.221797318607E+00
  -.223379982348E+00  -.224504570832E+00  -.225113822576E+00  -.225145665596E+00  -.224532940792E+00
  -.223203124070E+00  -.221078049349E+00  -.218073634810E+00  -.214099614936E+00  -.209059281106E+00
  -.202849233644E+00  -.195359148430E+00  -.186471561366E+00  -.176061674254E+00  -.163997186071E+00
  -.150138154291E+00  -.134336891962E+00  -.116437908003E+00  -.962779008330E-01  -.736858195368E-01
  -.484830127511E-01  -.204834941246E-01   .105056345896E-01   .446835448931E-01   .822547466436E-01
   .123427745979E+00   .168413145922E+00   .217420989654E+00   .270657084570E+00   .328317970202E+00
   .390584105101E+00   .457610748007E+00   .529515901005E+00   .606351591923E+00   .688292477140E+00
   .775483611861E+00   .868104097163E+00   .966343881368E+00   .107040649767E+01   .118051230869E+01
   .129690233012E+01
 ae wavefunction
   .151059377480E-03   .155960524120E-03   .161020612578E-03   .166244792305E-03   .171638379267E-03
   .177206861306E-03   .182955903670E-03   .188891354729E-03   .195019251859E-03   .201345827531E-03
   .207877515575E-03   .214620957660E-03   .221583009967E-03   .228770750086E-03   .236191484124E-03
   .243852754039E-03   .251762345212E-03   .259928294254E-03   .268358897063E-03   .277062717136E-03
   .286048594142E-03   .295325652768E-03   .304903311844E-03   .314791293754E-03   .324999634147E-03
   .335538691950E-03   .346419159699E-03   .357652074193E-03   .369248827483E-03   .381221178204E-03
   .393581263265E-03   .406341609899E-03   .419515148098E-03   .433115223427E-03   .447155610239E-03
   .461650525311E-03   .476614641884E-03   .492063104159E-03   .508011542228E-03   .524476087471E-03
   .541473388430E-03   .559020627168E-03   .577135536133E-03   .595836415542E-03   .615142151292E-03
   .635072233421E-03   .655646775136E-03   .676886532411E-03   .698812924191E-03   .721448053199E-03
   .744814727376E-03   .768936481966E-03   .793837602267E-03   .819543147059E-03   .846078972739E-03
   .873471758171E-03   .901749030273E-03   .930939190367E-03   .961071541300E-03   .992176315370E-03
   .102428470306E-02   .105742888264E-02   .109164205057E-02   .112695845284E-02   .116341341721E-02
   .120104338633E-02   .123988595187E-02   .127997988956E-02   .132136519524E-02   .136408312197E-02
   .140817621812E-02   .145368836653E-02   .150066482477E-02   .154915226652E-02   .159919882404E-02
   .165085413180E-02   .170416937133E-02   .175919731719E-02   .181599238422E-02   .187461067603E-02
   .193511003469E-02   .199755009177E-02   .206199232064E-02   .212850009012E-02   .219713871947E-02
   .226797553469E-02   .234107992624E-02   .241652340816E-02   .249437967854E-02   .257472468145E-02
   .265763667029E-02   .274319627253E-02   .283148655597E-02   .292259309636E-02   .301660404653E-02
   .311361020695E-02   .321370509767E-02   .331698503180E-02   .342354919032E-02   .353349969836E-02
   .364694170279E-02   .376398345126E-02   .388473637250E-02   .400931515794E-02   .413783784463E-02
   .427042589925E-02   .440720430340E-02   .454830163989E-02   .469385018009E-02   .484398597219E-02
   .499884893033E-02   .515858292446E-02   .532333587081E-02   .549325982298E-02   .566851106323E-02
   .584925019418E-02   .603564223044E-02   .622785669018E-02   .642606768641E-02   .663045401763E-02
   .684119925789E-02   .705849184563E-02   .728252517141E-02   .751349766390E-02   .775161287407E-02
   .799707955702E-02   .825011175122E-02   .851092885468E-02   .877975569759E-02   .905682261099E-02
   .934236549099E-02   .963662585794E-02   .993985090987E-02   .102522935698E-01   .105742125261E-01
   .109058722650E-01   .112475430948E-01   .115995011607E-01   .119620284495E-01   .123354127833E-01
   .127199478006E-01   .131159329245E-01   .135236733165E-01   .139434798145E-01   .143756688539E-01
   .148205623706E-01   .152784876835E-01   .157497773562E-01   .162347690359E-01   .167338052661E-01
   .172472332744E-01   .177754047297E-01   .183186754705E-01   .188774051983E-01   .194519571368E-01
   .200426976531E-01   .206499958378E-01   .212742230423E-01   .219157523701E-01   .225749581184E-01
   .232522151676E-01   .239478983153E-01   .246623815501E-01   .253960372634E-01   .261492353938E-01
   .269223425006E-01   .277157207625E-01   .285297268961E-01   .293647109914E-01   .302210152575E-01
   .310989726746E-01   .319989055478E-01   .329211239561E-01   .338659240917E-01   .348335864849E-01
   .358243741068E-01   .368385303458E-01   .378762768513E-01   .389378112376E-01   .400233046424E-01
   .411328991343E-01   .422667049611E-01   .434247976343E-01   .446072148414E-01   .458139531821E-01
   .470449647194E-01   .483001533414E-01   .495793709266E-01   .508824133076E-01   .522090160269E-01
   .535588498806E-01   .549315162446E-01   .563265421791E-01   .577433753083E-01   .591813784716E-01
   .606398241459E-01   .621178886351E-01   .636146460304E-01   .651290619393E-01   .666599869875E-01
   .682061500989E-01   .697661515563E-01   .713384558542E-01   .729213843511E-01   .745131077342E-01
   .761116383119E-01   .777148221508E-01   .793203310770E-01   .809256545684E-01   .825280915617E-01
   .841247422088E-01   .857124996153E-01   .872880416035E-01   .888478225428E-01   .903880652988E-01
   .919047533556E-01   .933936231734E-01   .948501568487E-01   .962695751503E-01   .976468310133E-01
   .989766035796E-01   .100253292878E+00   .101471015254E+00   .102623599651E+00   .103704584878E+00
   .104707217978E+00   .105624453851E+00   .106448956270E+00   .107173100449E+00   .107788977341E+00
   .108288399829E+00   .108662911011E+00   .108903794772E+00   .109002088849E+00   .108948600619E+00
   .108733925814E+00   .108348470429E+00   .107782476040E+00   .107026048811E+00   .106069192420E+00
   .104901845194E+00   .103513921706E+00   .101895359105E+00   .100036168453E+00   .979264913315E-01
   .955566619749E-01   .929172751856E-01   .899992602665E-01   .867939611894E-01   .832932231985E-01
   .794894860197E-01   .753758838152E-01   .709463519862E-01   .661957408865E-01   .611199364627E-01
   .557159877905E-01   .499822414220E-01   .439184824105E-01   .375260818220E-01   .308081504919E-01
   .237696987296E-01   .164178016160E-01   .876176947364E-02   .813323004364E-03  -.741322752467E-02
  -.159007998325E-01  -.246293549443E-01  -.335757116697E-01  -.427133621408E-01  -.520122910084E-01
  -.614388017831E-01  -.709553547884E-01  -.805204219704E-01  -.900883637045E-01  -.996093305631E-01
  -.109029187229E+00  -.118289445417E+00  -.127327179510E+00  -.136074889026E+00  -.144460276770E+00
  -.152405938844E+00  -.159829009187E+00  -.166640846770E+00  -.172746868312E+00  -.178046592839E+00
  -.182433887306E+00  -.185797331820E+00  -.188020606003E+00  -.188982836131E+00  -.188558895599E+00
  -.186619682941E+00  -.183032406141E+00  -.177660891660E+00  -.170365923942E+00  -.161005611726E+00
  -.149435772257E+00  -.135510322374E+00  -.119081665288E+00  -.100001062586E+00  -.781189819864E-01
  -.532854121368E-01  -.253501363098E-01   .583704303801E-02   .404261369719E-01   .785668685721E-01
   .120408646344E+00   .166100622522E+00   .215791847373E+00   .269631532049E+00   .327769434397E+00
   .390356384479E+00   .457544969431E+00   .529490400826E+00   .606351591923E+00   .688292477140E+00
   .775483611861E+00   .868104097163E+00   .966343881368E+00   .107040649767E+01   .118051230869E+01
   .129690233012E+01
 pseudo wavefunction
   .876800942919E-08   .934750820283E-08   .996530744023E-08   .106239385109E-07   .113261000886E-07
   .120746692089E-07   .128727130575E-07   .137235015379E-07   .146305206693E-07   .155974868702E-07
   .166283621861E-07   .177273705236E-07   .188990149574E-07   .201480961813E-07   .214797321784E-07
   .228993791914E-07   .244128540793E-07   .260263581512E-07   .277465025757E-07   .295803354691E-07
   .315353707747E-07   .336196190504E-07   .358416202909E-07   .382104789196E-07   .407359010930E-07
   .434282344708E-07   .462985106142E-07   .493584901867E-07   .526207111420E-07   .560985400973E-07
   .598062271014E-07   .637589640228E-07   .679729467968E-07   .724654417870E-07   .772548565319E-07
   .823608151682E-07   .878042388385E-07   .936074314137E-07   .997941708807E-07   .106389806770E-06
   .113421364022E-06   .120917653723E-06   .128909391148E-06   .137429321620E-06   .146512354678E-06
   .156195707115E-06   .166519055469E-06   .177524698598E-06   .189257730987E-06   .201766227524E-06
   .215101440481E-06   .229318009513E-06   .244474185538E-06   .260632069415E-06   .277857866393E-06
   .296222157385E-06   .315800188158E-06   .336672177651E-06   .358923646660E-06   .382645768248E-06
   .407935741319E-06   .434897188879E-06   .463640582620E-06   .494283695562E-06   .526952084616E-06
   .561779605040E-06   .598908958892E-06   .638492279736E-06   .680691755993E-06   .725680295482E-06
   .773642233894E-06   .824774090084E-06   .879285371278E-06   .937399431503E-06   .999354386754E-06
   .106540409064E-05   .113581917451E-05   .121088815635E-05   .129091862290E-05   .137623848999E-05
   .146719734613E-05   .156416788485E-05   .166754743180E-05   .177775957271E-05   .189525588897E-05
   .202051780793E-05   .215405857544E-05   .229642535878E-05   .244820148864E-05   .261000884915E-05
   .278251042597E-05   .296641302275E-05   .316247015708E-05   .337148514794E-05   .359431440709E-05
   .383187094802E-05   .408512812686E-05   .435512363048E-05   .464296372811E-05   .494982780407E-05
   .527697318997E-05   .562574031625E-05   .599755820430E-05   .639395032137E-05   .681654082259E-05
   .726706120540E-05   .774735740376E-05   .825939735129E-05   .880527904412E-05   .938723913663E-05
   .100076621053E-04   .106690900180E-04   .113742329492E-04   .121259800829E-04   .129274115503E-04
   .137818110482E-04   .146926792929E-04   .156637483622E-04   .166989969852E-04   .178026668427E-04
   .189792799449E-04   .202336571571E-04   .215709379492E-04   .229966014514E-04   .245164888998E-04
   .261368275659E-04   .278642562675E-04   .297058525640E-04   .316691617501E-04   .337622277638E-04
   .359936261373E-04   .383724991248E-04   .409085931505E-04   .436122987313E-04   .464946930367E-04
   .495675852597E-04   .528435649859E-04   .563360537566E-04   .600593600386E-04   .640287378248E-04
   .682604491045E-04   .727718304609E-04   .775813640660E-04   .827087533641E-04   .881750037533E-04
   .940025085951E-04   .100215140902E-03   .106838351079E-03   .113899271120E-03   .121426825680E-03
   .129451850478E-03   .138007218521E-03   .147127974656E-03   .156851478992E-03   .167217559805E-03
   .178268676513E-03   .190050093415E-03   .202610064881E-03   .216000032767E-03   .230274836838E-03
   .245492939072E-03   .261716662751E-03   .279012447307E-03   .297451119968E-03   .317108185303E-03
   .338064133837E-03   .360404770996E-03   .384221567711E-03   .409612034101E-03   .436680117756E-03
   .465536628216E-03   .496299689376E-03   .529095221642E-03   .564057455770E-03   .601329480479E-03
   .641063826030E-03   .683423086115E-03   .728580580566E-03   .776721061532E-03   .828041465956E-03
   .882751717358E-03   .941075580128E-03   .100325156974E-02   .106953392247E-02   .114019362857E-02
   .121551953281E-02   .129581950697E-02   .138142169865E-02   .147267586158E-02   .156995477238E-02
   .167365573951E-02   .178420221022E-02   .190204548166E-02   .202766652295E-02   .216157791508E-02
   .230432591607E-02   .245649265950E-02   .261869849446E-02   .279160447600E-02   .297591501533E-02
   .317238069977E-02   .338180129278E-02   .360502892529E-02   .384297148989E-02   .409659625027E-02
   .436693367886E-02   .465508153640E-02   .496220920774E-02   .528956230910E-02   .563846758260E-02
   .601033809478E-02   .640667875647E-02   .682909218230E-02   .727928490893E-02   .775907399167E-02
   .827039400030E-02   .881530443543E-02   .939599758743E-02   .100148068609E-01   .106742155883E-01
   .113768663561E-01   .121255708695E-01   .129233203788E-01   .137732966940E-01   .146788838121E-01
   .156436801832E-01   .166715116379E-01   .177664450033E-01   .189328024277E-01   .201751764366E-01
   .214984457406E-01   .229077918110E-01   .244087162380E-01   .260070588813E-01   .277090168194E-01
   .295211640968E-01   .314504722621E-01   .335043316825E-01   .356905736097E-01   .380174929610E-01
   .404938717663E-01   .431290032176E-01   .459327162362E-01   .489154004572E-01   .520880315025E-01
   .554621963885E-01   .590501188839E-01   .628646845960E-01   .669194655242E-01   .712287437731E-01
   .758075340664E-01   .806716046432E-01   .858374960531E-01   .913225372928E-01   .971448586440E-01
   .103323400480E+00   .109877917210E+00   .116828975410E+00   .124197945074E+00   .132006982779E+00
   .140279005407E+00   .149037652906E+00   .158307238415E+00   .168112683857E+00   .178479438948E+00
   .189433381339E+00   .201000695392E+00   .213207726887E+00   .226080810723E+00   .239646068460E+00
   .253929172356E+00   .268955072346E+00   .284747682278E+00   .301329521590E+00   .318721308578E+00
   .336941501427E+00   .356005783316E+00   .375926488182E+00   .396711964169E+00   .418365872421E+00
   .440886419795E+00   .464265525259E+00   .488487921304E+00   .513530193674E+00   .539359765212E+00
   .565933832605E+00   .593198268522E+00   .621086505922E+00   .649518426467E+00   .678399280811E+00
   .707618675275E+00   .737049666855E+00   .766548016726E+00   .795951661151E+00   .825080467758E+00
   .853736354175E+00   .881703854475E+00   .908751226040E+00   .934632194409E+00   .959088435217E+00
   .981852888934E+00   .100265399395E+01   .102122090455E+01   .103728972981E+01   .105061078496E+01
   .106095678522E+01   .106813183090E+01   .107198092903E+01   .107239966993E+01   .106934352597E+01
   .106283606749E+01   .105297520198E+01   .103993634791E+01   .102397126974E+01   .100540114852E+01
   .984602376785E+00   .961983587564E+00   .937952609537E+00   .912872443939E+00   .887006052763E+00
   .860452992548E+00
 ae wavefunction
   .106376700892E-06   .113087413803E-06   .120167236645E-06   .127639483744E-06   .135528816674E-06
   .143861331680E-06   .152664652631E-06   .161968029723E-06   .171802444287E-06   .182200720122E-06
   .193197641780E-06   .204830080265E-06   .217137126625E-06   .230160233977E-06   .243943368496E-06
   .258533169978E-06   .273979122604E-06   .290333736564E-06   .307652741272E-06   .325995290924E-06
   .345424183216E-06   .366006092090E-06   .387811815424E-06   .410916538653E-06   .435400115376E-06
   .461347366055E-06   .488848395999E-06   .517998933913E-06   .548900692345E-06   .581661751487E-06
   .616396967856E-06   .653228409491E-06   .692285819420E-06   .733707109229E-06   .777638884741E-06
   .824237005887E-06   .873667183032E-06   .926105612138E-06   .981739651318E-06   .104076854150E-05
   .110340417408E-05   .116987190869E-05   .124041144428E-05   .131527774710E-05   .139474203931E-05
   .147909285209E-05   .156863714758E-05   .166370151417E-05   .176463343984E-05   .187180266875E-05
   .198560264655E-05   .210645206009E-05   .223479647791E-05   .237111009795E-05   .251589760950E-05
   .266969617698E-05   .283307755347E-05   .300665033235E-05   .319106234635E-05   .338700322333E-05
   .359520710936E-05   .381645556972E-05   .405158067970E-05   .430146831748E-05   .456706167228E-05
   .484936498185E-05   .514944751434E-05   .546844781039E-05   .580757820245E-05   .616812962949E-05
   .655147676623E-05   .695908348745E-05   .739250868932E-05   .785341249074E-05   .834356283974E-05
   .886484255102E-05   .941925680293E-05   .100089411236E-04   .106361698981E-04   .113033654302E-04
   .120131075958E-04   .127681441243E-04   .135714015515E-04   .144259968849E-04   .153352500294E-04
   .163026970217E-04   .173321041264E-04   .184274828491E-04   .195931059255E-04   .208335243507E-04
   .221535855148E-04   .235584525170E-04   .250536247328E-04   .266449597174E-04   .283386965292E-04
   .301414805655E-04   .320603900083E-04   .341029639827E-04   .362772325379E-04   .385917485686E-04
   .410556217999E-04   .436785549684E-04   .464708823404E-04   .494436107148E-04   .526084630715E-04
   .559779250320E-04   .595652943117E-04   .633847333553E-04   .674513253550E-04   .717811338686E-04
   .763912662638E-04   .812999412304E-04   .865265606192E-04   .920917858780E-04   .980176193759E-04
   .104327490922E-03   .111046349803E-03   .118200762693E-03   .125819017788E-03   .133931235567E-03
   .142569486591E-03   .151767916764E-03   .161562880536E-03   .171993082532E-03   .183099728119E-03
   .194926683483E-03   .207520645769E-03   .220931323935E-03   .235211630950E-03   .250417888030E-03
   .266610041664E-03   .283851894174E-03   .302211348653E-03   .321760669129E-03   .342576756879E-03
   .364741443858E-03   .388341804248E-03   .413470485229E-03   .440226058081E-03   .468713390831E-03
   .499044043701E-03   .531336688690E-03   .565717554690E-03   .602320899606E-03   .641289511049E-03
   .682775237216E-03   .726939549682E-03   .773954139915E-03   .824001551398E-03   .877275849343E-03
   .933983330099E-03   .994343272418E-03   .105858873288E-02   .112696738786E-02   .119974242457E-02
   .127719348371E-02   .135961765659E-02   .144733053946E-02   .154066734799E-02   .163998409513E-02
   .174565883545E-02   .185809297922E-02   .197771267987E-02   .210497029824E-02   .224034594739E-02
   .238434912175E-02   .253752041457E-02   .270043332766E-02   .287369617763E-02   .305795410281E-02
   .325389117523E-02   .346223262206E-02   .368374716102E-02   .391924945424E-02   .416960268529E-02
   .443572126384E-02   .471857366264E-02   .501918539142E-02   .533864211224E-02   .567809290071E-02
   .603875365747E-02   .642191067419E-02   .682892435788E-02   .726123311760E-02   .772035741668E-02
   .820790399386E-02   .872557025585E-02   .927514884363E-02   .985853237406E-02   .104777183579E-01
   .111348142943E-01   .118320429415E-01   .125717477618E-01   .133563985387E-01   .141885971617E-01
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   .712154708464E-01   .121575645247E+00   .175725038559E+00   .233787339000E+00   .295881707164E+00
   .362121655279E+00   .432613749428E+00   .507456111914E+00   .586736700416E+00   .670531340478E+00
   .758901488024E+00   .851891699118E+00   .949526784875E+00   .105180863024E+01   .115871265627E+01
   .127018390490E+01
 End of Dataset
 PAW_RPBE C 08Apr2002
 4.00000000000000000
 parameters from PSCTR are:
   VRHFIN =C: s2p2
   LEXCH  = PE
   EATOM  =   147.1560 eV,   10.8157 Ry

   TITEL  = PAW_RPBE C 08Apr2002
   LULTRA =        F    use ultrasoft PP ?
   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no
   RPACOR =     .000    partial core radius
   POMASS =   12.011; ZVAL   =    4.000    mass and valenz
   RCORE  =    1.500    outmost cutoff radius
   RWIGS  =    1.630; RWIGS  =     .863    wigner-seitz radius (au A)
   ENMAX  =  400.000; ENMIN  =  300.000 eV
   ICORE  =        2    local potential
   LCOR   =        T    correct aug charges
   LPAW   =        T    paw PP
   EAUG   =  644.873
   DEXC   =     .000
   RMAX   =    2.266    core radius for proj-oper
   RAUG   =    1.300    factor for augmentation sphere
   RDEP   =    1.501    radius for radial grids
   RDEPT  =    1.300    core radius for aug-charge
   QCUT   =   -5.516; QGAM   =   11.032    optimization parameters
 
   Description
     l     E      TYP  RCUT    TYP  RCUT
     0   .000     23  1.200
     0   .000     23  1.200
     1   .000     23  1.500
     1  2.500     23  1.500
     2   .000      7  1.500
   Error from kinetic energy argument (eV)
   NDATA  =      100
   STEP   =   20.000   1.050
  51.3      49.5      48.6      46.8      45.9      44.1      42.4      41.6
  39.9      38.2      37.4      35.8      34.3      32.8      31.4      30.0
  28.6      27.3      26.1      24.3      23.2      22.1      20.5      19.6
  18.6      17.3      16.0      15.2      14.1      13.1      12.1      11.1
  10.3      9.47      8.72      8.02      7.15      6.55      5.82      5.31
  4.69      4.13      3.63      3.17      2.76      2.40      2.07      1.72
  1.47      1.20      .971      .815      .650      .512      .380      .292
  .222      .158      .110      .748E-01  .504E-01  .337E-01  .227E-01  .149E-01
  .111E-01  .869E-02  .756E-02  .700E-02  .657E-02  .614E-02  .551E-02  .474E-02
  .392E-02  .314E-02  .237E-02  .184E-02  .143E-02  .118E-02  .104E-02  .993E-03
  .959E-03  .910E-03  .829E-03  .707E-03  .570E-03  .442E-03  .343E-03  .275E-03
  .245E-03  .238E-03  .236E-03  .227E-03  .202E-03  .169E-03  .131E-03  .102E-03
  .851E-04  .796E-04  .787E-04  .761E-04
END of PSCTR-controll parameters
 local part
 124.721915246208937
   .20370041E+02   .20367047E+02   .20363065E+02   .20356432E+02   .20347149E+02
   .20335222E+02   .20320655E+02   .20303451E+02   .20283615E+02   .20261149E+02
   .20236054E+02   .20208330E+02   .20177973E+02   .20144979E+02   .20109342E+02
   .20071052E+02   .20030100E+02   .19986473E+02   .19940156E+02   .19891131E+02
   .19839380E+02   .19784881E+02   .19727608E+02   .19667533E+02   .19604624E+02
   .19538848E+02   .19470165E+02   .19398533E+02   .19323907E+02   .19246238E+02
   .19165474E+02   .19081559E+02   .18994436E+02   .18904042E+02   .18810316E+02
   .18713191E+02   .18612600E+02   .18508475E+02   .18400746E+02   .18289342E+02
   .18174194E+02   .18055230E+02   .17932383E+02   .17805584E+02   .17674770E+02
   .17539878E+02   .17400851E+02   .17257634E+02   .17110178E+02   .16958440E+02
   .16802384E+02   .16641980E+02   .16477205E+02   .16308046E+02   .16134498E+02
   .15956565E+02   .15774263E+02   .15587618E+02   .15396667E+02   .15201458E+02
   .15002052E+02   .14798523E+02   .14590957E+02   .14379453E+02   .14164124E+02
   .13945096E+02   .13722507E+02   .13496509E+02   .13267269E+02   .13034964E+02
   .12799787E+02   .12561941E+02   .12321643E+02   .12079119E+02   .11834608E+02
   .11588360E+02   .11340633E+02   .11091695E+02   .10841823E+02   .10591299E+02
   .10340414E+02   .10089462E+02   .98387442E+01   .95885628E+01   .93392235E+01
   .90910332E+01   .88442985E+01   .85993254E+01   .83564171E+01   .81158740E+01
   .78779914E+01   .76430593E+01   .74113606E+01   .71831703E+01   .69587545E+01
   .67383690E+01   .65222587E+01   .63106564E+01   .61037820E+01   .59018416E+01
   .57050266E+01   .55135133E+01   .53274620E+01   .51470163E+01   .49723031E+01
   .48034315E+01   .46404931E+01   .44835614E+01   .43326919E+01   .41879218E+01
   .40492700E+01   .39167374E+01   .37903070E+01   .36699442E+01   .35555971E+01
   .34471969E+01   .33446585E+01   .32478812E+01   .31567490E+01   .30711318E+01
   .29908859E+01   .29158549E+01   .28458705E+01   .27807538E+01   .27203159E+01
   .26643592E+01   .26126782E+01   .25650608E+01   .25212894E+01   .24811415E+01
   .24443918E+01   .24108123E+01   .23801739E+01   .23522476E+01   .23268052E+01
   .23036204E+01   .22824701E+01   .22631352E+01   .22454013E+01   .22290599E+01
   .22139090E+01   .21997540E+01   .21864085E+01   .21736945E+01   .21614436E+01
   .21494971E+01   .21377065E+01   .21259340E+01   .21140529E+01   .21019474E+01
   .20895134E+01   .20766579E+01   .20632996E+01   .20493686E+01   .20348062E+01
   .20195649E+01   .20036082E+01   .19869100E+01   .19694548E+01   .19512365E+01
   .19322589E+01   .19125343E+01   .18920837E+01   .18709357E+01   .18491262E+01
   .18266977E+01   .18036985E+01   .17801824E+01   .17562075E+01   .17318361E+01
   .17071335E+01   .16821677E+01   .16570086E+01   .16317270E+01   .16063948E+01
   .15810833E+01   .15558635E+01   .15308050E+01   .15059756E+01   .14814409E+01
   .14572636E+01   .14335032E+01   .14102158E+01   .13874532E+01   .13652631E+01
   .13436886E+01   .13227681E+01   .13025351E+01   .12830178E+01   .12642394E+01
   .12462178E+01   .12289658E+01   .12124909E+01   .11967956E+01   .11818774E+01
   .11677289E+01   .11543381E+01   .11416888E+01   .11297604E+01   .11185286E+01
   .11079653E+01   .10980394E+01   .10887169E+01   .10799609E+01   .10717326E+01
   .10639913E+01   .10566949E+01   .10498000E+01   .10432627E+01   .10370386E+01
   .10310836E+01   .10253536E+01   .10198054E+01   .10143970E+01   .10090873E+01
   .10038372E+01   .99860926E+00   .99336835E+00   .98808151E+00   .98271838E+00
   .97725128E+00   .97165536E+00   .96590871E+00   .95999244E+00   .95389076E+00
   .94759097E+00   .94108348E+00   .93436178E+00   .92742240E+00   .92026483E+00
   .91289140E+00   .90530719E+00   .89751990E+00   .88953964E+00   .88137882E+00
   .87305193E+00   .86457534E+00   .85596709E+00   .84724670E+00   .83843488E+00
   .82955338E+00   .82062468E+00   .81167180E+00   .80271806E+00   .79378687E+00
   .78490146E+00   .77608471E+00   .76735895E+00   .75874572E+00   .75026562E+00
   .74193815E+00   .73378153E+00   .72581255E+00   .71804650E+00   .71049701E+00
   .70317595E+00   .69609343E+00   .68925768E+00   .68267502E+00   .67634989E+00
   .67028480E+00   .66448037E+00   .65893536E+00   .65364672E+00   .64860965E+00
   .64381770E+00   .63926282E+00   .63493551E+00   .63082489E+00   .62691886E+00
   .62320423E+00   .61966683E+00   .61629170E+00   .61306320E+00   .60996518E+00
   .60698114E+00   .60409438E+00   .60128812E+00   .59854571E+00   .59585071E+00
   .59318709E+00   .59053928E+00   .58789240E+00   .58523230E+00   .58254567E+00
   .57982020E+00   .57704459E+00   .57420869E+00   .57130350E+00   .56832130E+00
   .56525559E+00   .56210123E+00   .55885435E+00   .55551241E+00   .55207418E+00
   .54853970E+00   .54491030E+00   .54118846E+00   .53737787E+00   .53348329E+00
   .52951049E+00   .52546620E+00   .52135799E+00   .51719421E+00   .51298385E+00
   .50873649E+00   .50446213E+00   .50017117E+00   .49587419E+00   .49158197E+00
   .48730527E+00   .48305479E+00   .47884106E+00   .47467432E+00   .47056446E+00
   .46652089E+00   .46255249E+00   .45866752E+00   .45487354E+00   .45117740E+00
   .44758510E+00   .44410183E+00   .44073191E+00   .43747871E+00   .43434471E+00
   .43133146E+00   .42843957E+00   .42566872E+00   .42301770E+00   .42048440E+00
   .41806590E+00   .41575842E+00   .41355747E+00   .41145782E+00   .40945360E+00
   .40753838E+00   .40570518E+00   .40394661E+00   .40225491E+00   .40062201E+00
   .39903965E+00   .39749944E+00   .39599292E+00   .39451167E+00   .39304737E+00
   .39159186E+00   .39013724E+00   .38867593E+00   .38720073E+00   .38570485E+00
   .38418204E+00   .38262655E+00   .38103324E+00   .37939758E+00   .37771570E+00
   .37598438E+00   .37420112E+00   .37236410E+00   .37047222E+00   .36852508E+00
   .36652295E+00   .36446680E+00   .36235825E+00   .36019954E+00   .35799352E+00
   .35574356E+00   .35345359E+00   .35112797E+00   .34877149E+00   .34638929E+00
   .34398685E+00   .34156984E+00   .33914418E+00   .33671586E+00   .33429099E+00
   .33187566E+00   .32947591E+00   .32709768E+00   .32474675E+00   .32242866E+00
   .32014872E+00   .31791189E+00   .31572278E+00   .31358561E+00   .31150416E+00
   .30948175E+00   .30752120E+00   .30562483E+00   .30379444E+00   .30203129E+00
   .30033609E+00   .29870903E+00   .29714975E+00   .29565737E+00   .29423051E+00
   .29286727E+00   .29156532E+00   .29032187E+00   .28913372E+00   .28799732E+00
   .28690876E+00   .28586386E+00   .28485818E+00   .28388708E+00   .28294575E+00
   .28202929E+00   .28113270E+00   .28025099E+00   .27937919E+00   .27851241E+00
   .27764585E+00   .27677490E+00   .27589514E+00   .27500240E+00   .27409276E+00
   .27316263E+00   .27220876E+00   .27122823E+00   .27021853E+00   .26917754E+00
   .26810355E+00   .26699528E+00   .26585187E+00   .26467290E+00   .26345836E+00
   .26220868E+00   .26092468E+00   .25960760E+00   .25825903E+00   .25688093E+00
   .25547560E+00   .25404564E+00   .25259392E+00   .25112354E+00   .24963785E+00
   .24814034E+00   .24663464E+00   .24512451E+00   .24361375E+00   .24210618E+00
   .24060565E+00   .23911592E+00   .23764068E+00   .23618352E+00   .23474787E+00
   .23333695E+00   .23195382E+00   .23060127E+00   .22928182E+00   .22799774E+00
   .22675098E+00   .22554318E+00   .22437564E+00   .22324935E+00   .22216493E+00
   .22112269E+00   .22012257E+00   .21916418E+00   .21824680E+00   .21736940E+00
   .21653062E+00   .21572884E+00   .21496215E+00   .21422840E+00   .21352520E+00
   .21284996E+00   .21219995E+00   .21157224E+00   .21096382E+00   .21037158E+00
   .20979234E+00   .20922293E+00   .20866013E+00   .20810079E+00   .20754181E+00
   .20698018E+00   .20641301E+00   .20583754E+00   .20525119E+00   .20465158E+00
   .20403650E+00   .20340400E+00   .20275237E+00   .20208013E+00   .20138608E+00
   .20066930E+00   .19992913E+00   .19916520E+00   .19837742E+00   .19756595E+00
   .19673127E+00   .19587408E+00   .19499535E+00   .19409629E+00   .19317833E+00
   .19224309E+00   .19129242E+00   .19032831E+00   .18935289E+00   .18836843E+00
   .18737730E+00   .18638193E+00   .18538484E+00   .18438853E+00   .18339554E+00
   .18240837E+00   .18142949E+00   .18046127E+00   .17950602E+00   .17856592E+00
   .17764303E+00   .17673925E+00   .17585631E+00   .17499577E+00   .17415898E+00
   .17334710E+00   .17256106E+00   .17180158E+00   .17106916E+00   .17036405E+00
   .16968629E+00   .16903568E+00   .16841183E+00   .16781409E+00   .16724163E+00
   .16669341E+00   .16616823E+00   .16566469E+00   .16518125E+00   .16471622E+00
   .16426780E+00   .16383409E+00   .16341308E+00   .16300273E+00   .16260093E+00
   .16220555E+00   .16181447E+00   .16142557E+00   .16103678E+00   .16064608E+00
   .16025153E+00   .15985127E+00   .15944356E+00   .15902679E+00   .15859947E+00
   .15816027E+00   .15770802E+00   .15724172E+00   .15676055E+00   .15626388E+00
   .15575124E+00   .15522237E+00   .15467721E+00   .15411586E+00   .15353862E+00
   .15294597E+00   .15233856E+00   .15171720E+00   .15108286E+00   .15043664E+00
   .14977979E+00   .14911366E+00   .14843970E+00   .14775946E+00   .14707455E+00
   .14638664E+00   .14569742E+00   .14500863E+00   .14432199E+00   .14363921E+00
   .14296197E+00   .14229192E+00   .14163061E+00   .14097955E+00   .14034014E+00
   .13971369E+00   .13910136E+00   .13850424E+00   .13792323E+00   .13735913E+00
   .13681257E+00   .13628404E+00   .13577385E+00   .13528217E+00   .13480903E+00
   .13435426E+00   .13391756E+00   .13349850E+00   .13309646E+00   .13271073E+00
   .13234044E+00   .13198461E+00   .13164217E+00   .13131192E+00   .13099261E+00
   .13068290E+00   .13038140E+00   .13008665E+00   .12979721E+00   .12951159E+00
   .12922830E+00   .12894587E+00   .12866286E+00   .12837787E+00   .12808956E+00
   .12779664E+00   .12749792E+00   .12719228E+00   .12687871E+00   .12655630E+00
   .12622426E+00   .12588192E+00   .12552874E+00   .12516431E+00   .12478835E+00
   .12440070E+00   .12400137E+00   .12359046E+00   .12316825E+00   .12273510E+00
   .12229152E+00   .12183812E+00   .12137563E+00   .12090488E+00   .12042677E+00
   .11994231E+00   .11945257E+00   .11895866E+00   .11846177E+00   .11796310E+00
   .11746388E+00   .11696536E+00   .11646879E+00   .11597539E+00   .11548637E+00
   .11500290E+00   .11452609E+00   .11405702E+00   .11359666E+00   .11314594E+00
   .11270569E+00   .11227663E+00   .11185942E+00   .11145458E+00   .11106252E+00
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   .10644371E+00   .10622921E+00   .10601792E+00   .10580875E+00   .10560060E+00
   .10539239E+00   .10518306E+00   .10497157E+00   .10475696E+00   .10453828E+00
   .10431468E+00   .10408535E+00   .10384957E+00   .10360669E+00   .10335617E+00
   .10309753E+00   .10283041E+00   .10255454E+00   .10226976E+00   .10197599E+00
   .10167327E+00   .10136174E+00   .10104161E+00   .10071322E+00   .10037698E+00
   .10003339E+00   .99683035E-01   .99326560E-01   .98964686E-01   .98598192E-01
   .98227905E-01   .97854696E-01   .97479469E-01   .97103153E-01   .96726690E-01
   .96351032E-01   .95977122E-01   .95605896E-01   .95238263E-01   .94875104E-01
   .94517262E-01   .94165530E-01   .93820648E-01   .93483297E-01   .93154087E-01
   .92833560E-01   .92522178E-01   .92220322E-01   .91928290E-01   .91646293E-01
   .91374453E-01   .91112806E-01   .90861296E-01   .90619782E-01   .90388037E-01
   .90165753E-01   .89952541E-01   .89747938E-01   .89551415E-01   .89362374E-01
   .89180165E-01   .89004083E-01   .88833381E-01   .88667275E-01   .88504954E-01
   .88345585E-01   .88188323E-01   .88032318E-01   .87876726E-01   .87720712E-01
   .87563465E-01   .87404199E-01   .87242164E-01   .87076653E-01   .86907006E-01
   .86732619E-01   .86552947E-01   .86367508E-01   .86175890E-01   .85977752E-01
   .85772829E-01   .85560931E-01   .85341946E-01   .85115842E-01   .84882662E-01
   .84642528E-01   .84395638E-01   .84142261E-01   .83882734E-01   .83617462E-01
   .83346910E-01   .83071598E-01   .82792096E-01   .82509020E-01   .82223022E-01
   .81934789E-01   .81645029E-01   .81354469E-01   .81063847E-01   .80773905E-01
   .80485378E-01   .80198993E-01   .79915456E-01   .79635450E-01   .79359624E-01
   .79088592E-01   .78822923E-01   .78563138E-01   .78309707E-01   .78063040E-01
   .77823487E-01   .77591337E-01   .77366809E-01   .77150057E-01   .76941167E-01
   .76740152E-01   .76546960E-01   .76361469E-01   .76183493E-01   .76012780E-01
   .75849017E-01   .75691837E-01   .75540816E-01   .75395484E-01   .75255324E-01
   .75119783E-01   .74988274E-01   .74860182E-01   .74734871E-01   .74611692E-01
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 gradient corrections used for XC
 5
 atomic pseudo charge-density
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 25.1333556480996805 T
 Non local Part
 0 2 1.19916030564286080
 6.64147139257665753 -0.902950942393947048E-01 -0.902950942393947048E-01 -0.494570754788003619E-02
 Reciprocal Space Part
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 Reciprocal Space Part
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 Real Space Part
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 Non local Part
 1 2 1.19916030564286080
 -1.25459306742451093 0.228100760454737587E-01 0.228100760454737587E-01 -0.700981276733592118
 Reciprocal Space Part
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   .11389735E+01   .13471118E+01   .15449501E+01   .17311126E+01   .19043703E+01
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   .65778287E-02   .69831577E-02   .71452240E-02   .70763059E-02   .67955637E-02
 Real Space Part
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   .33806453E-02   .27056586E-02   .20458418E-02   .14385027E-02   .91002329E-03
 Reciprocal Space Part
   .00000000E+00   .29272926E+00   .57843399E+00   .85023484E+00   .11015397E+01
   .13261794E+01   .15185341E+01   .16736479E+01   .17873284E+01   .18562306E+01
   .18779215E+01   .18509255E+01   .17747492E+01   .16498856E+01   .14777963E+01
   .12608754E+01   .10023919E+01   .70641614E+00   .37772921E+00   .21718724E-01
  -.35573657E+00  -.74839098E+00  -.11497619E+01  -.15532628E+01  -.19523357E+01
  -.23405817E+01  -.27118843E+01  -.30605258E+01  -.33812917E+01  -.36695632E+01
  -.39213948E+01  -.41335755E+01  -.43036740E+01  -.44300652E+01  -.45119403E+01
  -.45492988E+01  -.45429232E+01  -.44943396E+01  -.44057620E+01  -.42800250E+01
  -.41205058E+01  -.39310365E+01  -.37158106E+01  -.34792853E+01  -.32260817E+01
  -.29608856E+01  -.26883505E+01  -.24130063E+01  -.21391741E+01  -.18708888E+01
  -.16118327E+01  -.13652790E+01  -.11340470E+01  -.92047055E+00  -.72637731E+00
  -.55308185E+00  -.40138970E+00  -.27161305E+00  -.16359660E+00  -.76752772E-01
  -.10104639E-01   .37664549E-01   .68156995E-01   .83202612E-01   .84799534E-01
   .75054428E-01   .56124091E-01   .30159711E-01  -.74497392E-03  -.34600541E-01
  -.69562879E-01  -.10396763E+00  -.13635759E+00  -.16550280E+00  -.19041323E+00
  -.21034427E+00  -.22479520E+00  -.23350134E+00  -.23642027E+00  -.23371303E+00
  -.22572115E+00  -.21294033E+00  -.19599172E+00  -.17559194E+00  -.15252250E+00
  -.12759976E+00  -.10164610E+00  -.75463148E-01  -.49807632E-01  -.25370407E-01
  -.27590838E-02   .17515510E-01   .35048873E-01   .49548366E-01   .60834843E-01
   .68840593E-01   .73603904E-01   .75260639E-01   .74033291E-01   .70218015E-01
 Real Space Part
   .00000000E+00  -.44565316E+01  -.88736793E+01  -.13212431E+02  -.17434518E+02
  -.21502784E+02  -.25381550E+02  -.29036977E+02  -.32437420E+02  -.35553771E+02
  -.38359789E+02  -.40832411E+02  -.42952041E+02  -.44702811E+02  -.46072803E+02
  -.47054238E+02  -.47643617E+02  -.47841801E+02  -.47654050E+02  -.47089992E+02
  -.46163524E+02  -.44892661E+02  -.43299301E+02  -.41408940E+02  -.39250314E+02
  -.36854984E+02  -.34256876E+02  -.31491766E+02  -.28596733E+02  -.25609588E+02
  -.22568287E+02  -.19510342E+02  -.16472240E+02  -.13488886E+02  -.10593077E+02
  -.78150297E+01  -.51819498E+01  -.27176791E+01  -.44240695E+00   .16275384E+01
   .34798180E+01   .51061276E+01   .65021612E+01   .76674960E+01   .86054018E+01
   .93225838E+01   .98288640E+01   .10136814E+02   .10261344E+02   .10219273E+02
   .10028865E+02   .97093782E+01   .92806093E+01   .87624554E+01   .81745059E+01
   .75356666E+01   .68638280E+01   .61755803E+01   .54859812E+01   .48083782E+01
   .41542863E+01   .35333200E+01   .29531777E+01   .24196742E+01   .19368174E+01
   .15069225E+01   .11307583E+01   .80771818E+00   .53600812E+00   .31284662E+00
   .13466788E+00  -.26769640E-02  -.10372651E+00  -.17322843E+00  -.21597563E+00
  -.23666226E+00  -.23976167E+00  -.22942775E+00  -.20941978E+00  -.18305043E+00
  -.15315567E+00  -.12208482E+00  -.91708380E-01  -.63441081E-01  -.38277137E-01
  -.16834879E-01   .59226634E-03   .13981221E-01   .23523731E-01   .29572128E-01
   .32588335E-01   .33097637E-01   .31648362E-01   .28778214E-01   .24987606E-01
   .20720005E-01   .16348990E-01   .12171480E-01   .84063741E-02   .51977359E-02
 PAW radial sets
 323 0.699084555240741423
(5E20.12)                                
 augmentation charges (non sperical)
  -.610085085999E-01  -.186338196202E-02  -.286321339088E-01   .165933387291E-01  -.186338196202E-02
  -.601132130549E-04   .464666195505E-04   .217264853682E-03  -.286321339088E-01   .464666195505E-04
   .535065865316E-01   .383319399150E-03   .165933387291E-01   .217264853682E-03   .383319399150E-03
   .119224496368E-02
 uccopancies in atom
   .200000000005E+01   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .666666666439E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00
 grid
   .266163843696E-04   .274818827895E-04   .283755250589E-04   .292982263456E-04   .302509315762E-04
   .312346164042E-04   .322502882088E-04   .332989871268E-04   .343817871173E-04   .354997970623E-04
   .366541619016E-04   .378460638057E-04   .390767233863E-04   .403474009463E-04   .416593977706E-04
   .430140574586E-04   .444127673002E-04   .458569596965E-04   .473481136267E-04   .488877561628E-04
   .504774640331E-04   .521188652376E-04   .538136407145E-04   .555635260619E-04   .573703133154E-04
   .592358527830E-04   .611620549401E-04   .631508923861E-04   .652044018643E-04   .673246863478E-04
   .695139171933E-04   .717743363644E-04   .741082587279E-04   .765180744243E-04   .790062513153E-04
   .815753375116E-04   .842279639819E-04   .869668472475E-04   .897947921642E-04   .927146947948E-04
   .957295453747E-04   .988424313742E-04   .102056540661E-03   .105375164763E-03   .108801702242E-03
   .112339662172E-03   .115992667733E-03   .119764459921E-03   .123658901382E-03   .127679980364E-03
   .131831814803E-03   .136118656540E-03   .140544895676E-03   .145115065067E-03   .149833844965E-03
   .154706067814E-03   .159736723194E-03   .164930962938E-03   .170294106401E-03   .175831645909E-03
   .181549252388E-03   .187452781165E-03   .193548277971E-03   .199841985127E-03   .206340347939E-03
   .213050021297E-03   .219977876495E-03   .227131008261E-03   .234516742027E-03   .242142641430E-03
   .250016516057E-03   .258146429445E-03   .266540707334E-03   .275207946198E-03   .284157022049E-03
   .293397099521E-03   .302937641261E-03   .312788417618E-03   .322959516647E-03   .333461354443E-03
   .344304685805E-03   .355500615252E-03   .367060608395E-03   .378996503676E-03   .391320524495E-03
   .404045291726E-03   .417183836643E-03   .430749614264E-03   .444756517131E-03   .459218889537E-03
   .474151542213E-03   .489569767503E-03   .505489355015E-03   .521926607798E-03   .538898359036E-03
   .556421989285E-03   .574515444273E-03   .593197253280E-03   .612486548111E-03   .632403082688E-03
   .652967253285E-03   .674200119407E-03   .696123425367E-03   .718759622544E-03   .742131892384E-03
   .766264170131E-03   .791181169349E-03   .816908407220E-03   .843472230686E-03   .870899843422E-03
   .899219333701E-03   .928459703155E-03   .958650896478E-03   .989823832089E-03   .102201043380E-02
   .105524366350E-02   .108955755493E-02   .112498724850E-02   .116156902732E-02   .119934035433E-02
   .123833991067E-02   .127860763528E-02   .132018476584E-02   .136311388097E-02   .140743894383E-02
   .145320534715E-02   .150045995974E-02   .154925117444E-02   .159962895772E-02   .165164490084E-02
   .170535227266E-02   .176080607424E-02   .181806309510E-02   .187718197144E-02   .193822324615E-02
   .200124943084E-02   .206632506983E-02   .213351680625E-02   .220289345031E-02   .227452604977E-02
   .234848796266E-02   .242485493244E-02   .250370516557E-02   .258511941158E-02   .266918104576E-02
   .275597615457E-02   .284559362380E-02   .293812522956E-02   .303366573230E-02   .313231297384E-02
   .323416797759E-02   .333933505196E-02   .344792189722E-02   .356003971581E-02   .367580332615E-02
   .379533128031E-02   .391874598535E-02   .404617382872E-02   .417774530766E-02   .431359516287E-02
   .445386251646E-02   .459869101447E-02   .474822897393E-02   .490262953478E-02   .506205081668E-02
   .522665608097E-02   .539661389781E-02   .557209831886E-02   .575328905551E-02   .594037166289E-02
   .613353772995E-02   .633298507563E-02   .653891795142E-02   .675154725060E-02   .697109072414E-02
   .719777320374E-02   .743182683208E-02   .767349130052E-02   .792301409459E-02   .818065074744E-02
   .844666510152E-02   .872132957877E-02   .900492545962E-02   .929774317102E-02   .960008258391E-02
   .991225332026E-02   .102345750702E-01   .105673779193E-01   .109110026869E-01   .112658012746E-01
   .116321370274E-01   .120103851049E-01   .124009328662E-01   .128041802665E-01   .132205402662E-01
   .136504392545E-01   .140943174853E-01   .145526295289E-01   .150258447369E-01   .155144477228E-01
   .160189388589E-01   .165398347883E-01   .170776689537E-01   .176329921445E-01   .182063730601E-01
   .187983988927E-01   .194096759284E-01   .200408301684E-01   .206925079697E-01   .213653767074E-01
   .220601254578E-01   .227774657044E-01   .235181320663E-01   .242828830506E-01   .250725018290E-01
   .258877970402E-01   .267296036178E-01   .275987836452E-01   .284962272388E-01   .294228534593E-01
   .303796112527E-01   .313674804228E-01   .323874726339E-01   .334406324470E-01   .345280383900E-01
   .356508040616E-01   .368100792718E-01   .380070512198E-01   .392429457094E-01   .405190284047E-01
   .418366061258E-01   .431970281875E-01   .446016877807E-01   .460520233998E-01   .475495203150E-01
   .490957120941E-01   .506921821726E-01   .523405654753E-01   .540425500908E-01   .557998790001E-01
   .576143518615E-01   .594878268538E-01   .614222225791E-01   .634195200277E-01   .654817646066E-01
   .676110682346E-01   .698096115046E-01   .720796459171E-01   .744234961856E-01   .768435626176E-01
   .793423235727E-01   .819223380004E-01   .845862480609E-01   .873367818310E-01   .901767560975E-01
   .931090792423E-01   .961367542205E-01   .992628816359E-01   .102490662916E+00   .105823403591E+00
   .109264516679E+00   .112817526180E+00   .116486070686E+00   .120273907107E+00   .124184914520E+00
   .128223098136E+00   .132392593410E+00   .136697670269E+00   .141142737487E+00   .145732347202E+00
   .150471199575E+00   .155364147606E+00   .160416202100E+00   .165632536802E+00   .171018493697E+00
   .176579588473E+00   .182321516178E+00   .188250157047E+00   .194371582528E+00   .200692061494E+00
   .207218066668E+00   .213956281250E+00   .220913605761E+00   .228097165108E+00   .235514315885E+00
   .243172653901E+00   .251080021964E+00   .259244517910E+00   .267674502897E+00   .276378609965E+00
   .285365752880E+00   .294645135264E+00   .304226260013E+00   .314118939037E+00   .324333303303E+00
   .334879813214E+00   .345769269317E+00   .357012823366E+00   .368621989744E+00   .380608657251E+00
   .392985101282E+00   .405763996398E+00   .418958429304E+00   .432581912251E+00   .446648396878E+00
   .461172288493E+00   .476168460830E+00   .491652271281E+00   .507639576621E+00   .524146749247E+00
   .541190693946E+00   .558788865208E+00   .576959285097E+00   .595720561711E+00   .615091908236E+00
   .635093162626E+00   .655744807911E+00   .677067993181E+00   .699084555241E+00   .721817040975E+00
   .745288730434E+00   .769523660679E+00   .794546650398E+00
 aepotential
   .383317401350E+05   .370760521630E+05   .358215427817E+05   .345723614372E+05   .333329235581E+05
   .321072411919E+05   .308989386383E+05   .297112470463E+05   .285470076453E+05   .274086798574E+05
   .262983535166E+05   .252177644407E+05   .241683130613E+05   .231510852278E+05   .221668746907E+05
   .212162067494E+05   .202993625032E+05   .194164032472E+05   .185671946044E+05   .177514300587E+05
   .169686535705E+05   .162182810557E+05   .154996205585E+05   .148118909766E+05   .141542392477E+05
   .135257560060E+05   .129254896671E+05   .123524589625E+05   .118056640518E+05   .112840961958E+05
   .107867460148E+05   .103126107938E+05   .986070033795E+04   .943004200499E+04   .901968485448E+04
   .862870276244E+04   .825619708807E+04   .790129849413E+04   .756316831746E+04   .724099943751E+04
   .693401678227E+04   .664147745305E+04   .636267057252E+04   .609691689646E+04   .584356827969E+04
   .560200695715E+04   .537164466484E+04   .515192177660E+04   .494230629451E+04   .474229278168E+04
   .455140136800E+04   .436917663011E+04   .419518652364E+04   .402902138329E+04   .387029279002E+04
   .371863253072E+04   .357369179155E+04   .343513992726E+04   .330266368403E+04   .317596636331E+04
   .305476672301E+04   .293879844635E+04   .282780911686E+04   .272155961227E+04   .261982329965E+04
   .252238545902E+04   .242904250854E+04   .233960151475E+04   .225387951953E+04   .217170307075E+04
   .209290762256E+04   .201733712284E+04   .194484348396E+04   .187528618728E+04   .180853185036E+04
   .174445383460E+04   .168293188934E+04   .162385178535E+04   .156710500646E+04   .151258842233E+04
   .146020400231E+04   .140985854502E+04   .136146340998E+04   .131493427670E+04   .127019091146E+04
   .122715695065E+04   .118575969310E+04   .114592990721E+04   .110760164901E+04   .107071208076E+04
   .103520132763E+04   .100101229465E+04   .968090551732E+03   .936384173502E+03   .905843624873E+03
   .876421626702E+03   .848073052039E+03   .820754808212E+03   .794425739614E+03   .769046524597E+03
   .744579591633E+03   .720989023054E+03   .698240480930E+03   .676301124330E+03   .655139537739E+03
   .634725661561E+03   .615030725674E+03   .596027188030E+03   .577688674777E+03   .559989924704E+03
   .542906737097E+03   .526415920536E+03   .510495246165E+03   .495123402472E+03   .480279952596E+03
   .465945293766E+03   .452100619670E+03   .438727882504E+03   .425809760163E+03   .413329622066E+03
   .401271498932E+03   .389620052484E+03   .378360547788E+03   .367478826286E+03   .356961280721E+03
   .346794830362E+03   .336966898773E+03   .327465391112E+03   .318278674497E+03   .309395556619E+03
   .300805268514E+03   .292497445394E+03   .284462110100E+03   .276689656664E+03   .269170834721E+03
   .261896734731E+03   .254858773865E+03   .248048682373E+03   .241458490845E+03   .235080517842E+03
   .228907358231E+03   .222931871878E+03   .217147172978E+03   .211546619837E+03   .206123805074E+03
   .200872546185E+03   .195786876778E+03   .190861037791E+03   .186089469450E+03   .181466803375E+03
   .176987855056E+03   .172647616682E+03   .168441250263E+03   .164364080974E+03   .160411590899E+03
   .156579412924E+03   .152863324933E+03   .149259244204E+03   .145763222136E+03   .142371439012E+03
   .139080199145E+03   .135885926133E+03   .132785158305E+03   .129774544362E+03   .126850839236E+03
   .124010899974E+03   .121251681982E+03   .118570235228E+03   .115963700738E+03   .113429307103E+03
   .110964367262E+03   .108566275250E+03   .106232503230E+03   .103960598509E+03   .101748180767E+03
   .995929393180E+02   .974926305371E+02   .954450753531E+02   .934481568477E+02   .914998179451E+02
   .895980592072E+02   .877409366956E+02   .859265599431E+02   .841530899713E+02   .824187374331E+02
   .807217607940E+02   .790604646145E+02   .774331978845E+02   .758383524512E+02   .742743614975E+02
   .727396980970E+02   .712328738357E+02   .697524374914E+02   .682969737885E+02   .668651022009E+02
   .654554758266E+02   .640667803164E+02   .626977328633E+02   .613470812491E+02   .600136029490E+02
   .586961042929E+02   .573934196797E+02   .561044108453E+02   .548279661925E+02   .535630001670E+02
   .523084526805E+02   .510632886094E+02   .498264973080E+02   .485970922131E+02   .473741104651E+02
   .461566125988E+02   .449436822753E+02   .437344260616E+02   .425279732599E+02   .413234757805E+02
   .401201080623E+02   .389170670348E+02   .377135721249E+02   .365088653029E+02   .353022111734E+02
   .340928970973E+02   .328802333592E+02   .316635533635E+02   .304422138675E+02   .292155952447E+02
   .279831017783E+02   .267441619801E+02   .254982289382E+02   .242447806833E+02   .229833205798E+02
   .217133777326E+02   .204345074131E+02   .191462914991E+02   .178483389287E+02   .165402861685E+02
   .152217976926E+02   .138925664776E+02   .125523145105E+02   .112007933164E+02   .983778450878E+01
   .846310036873E+01   .707658446486E+01   .567811232366E+01   .426759216912E+01   .284496575141E+01
   .141020929284E+01  -.366654156141E-01  -.149560972345E+01  -.296653658322E+01  -.444931870035E+01
  -.594378629039E+01  -.744972434548E+01  -.896686929182E+01  -.104949048950E+02  -.120334572435E+02
  -.135820886085E+02  -.151402899440E+02  -.167074717553E+02  -.182829530266E+02  -.198659478663E+02
  -.214555495031E+02  -.230507112591E+02  -.246502241472E+02  -.262526908046E+02  -.278564956091E+02
  -.294597710474E+02  -.310603607592E+02  -.326557801918E+02  -.342431765070E+02  -.358192903045E+02
  -.373804228649E+02  -.389224139265E+02  -.404406363995E+02  -.419300157173E+02  -.433850824888E+02
  -.448000674747E+02  -.461690474478E+02  -.474861491702E+02  -.487458171466E+02  -.499431492767E+02
  -.510743075199E+02  -.521370165321E+02  -.531311804649E+02  -.540596711832E+02  -.549293630873E+02
  -.557524764820E+02  -.565481668190E+02  -.573439201000E+02  -.581754998773E+02  -.590828862883E+02
  -.600984575072E+02  -.612246894042E+02  -.624054073495E+02  -.635079321979E+02  -.643429503546E+02
  -.647341328244E+02  -.646074102868E+02  -.640374460998E+02  -.632091682825E+02  -.623198210793E+02
  -.614972752813E+02  -.607833039180E+02  -.601643928333E+02  -.596083077577E+02  -.590852924460E+02
  -.585747945374E+02  -.580649267477E+02  -.575497821306E+02  -.570268364802E+02  -.564950806221E+02
  -.559539033021E+02  -.554025550570E+02  -.548399930324E+02  -.542649352801E+02  -.536760011707E+02
  -.530718627739E+02  -.524513698695E+02  -.518136362967E+02  -.511580889113E+02  -.504844862598E+02
  -.497929152047E+02  -.490837727492E+02  -.483577385574E+02
 core charge-density
   .210201471976E-05   .224075664592E-05   .238865458685E-05   .254631262205E-05   .271437467066E-05
   .289352711738E-05   .308450161127E-05   .328807804893E-05   .350508775400E-05   .373641686609E-05
   .398300995265E-05   .424587385875E-05   .452608181007E-05   .482477778602E-05   .514318118056E-05
   .548259176971E-05   .584439500577E-05   .623006765990E-05   .664118383576E-05   .707942137855E-05
   .754656870563E-05   .804453208605E-05   .857534339869E-05   .914116840034E-05   .974431553701E-05
   .103872453343E-04   .110725804047E-04   .118031161120E-04   .125818319365E-04   .134119035859E-04
   .142967159018E-04   .152398766133E-04   .162452309925E-04   .173168774727E-04   .184591842904E-04
   .196768072185E-04   .209747084634E-04   .223581767995E-04   .238328490247E-04   .254047328205E-04
   .270802311103E-04   .288661680134E-04   .307698164969E-04   .327989278389E-04   .349617630191E-04
   .372671261631E-04   .397244001732E-04   .423435846899E-04   .451353365329E-04   .481110127855E-04
   .512827166925E-04   .546633465537E-04   .582666478101E-04   .621072685268E-04   .662008184941E-04
   .705639321818E-04   .752143357953E-04   .801709186982E-04   .854538094856E-04   .910844570067E-04
   .970857166572E-04   .103481942281E-03   .110299084044E-03   .117564792660E-03   .125308530387E-03
   .133561689217E-03   .142357716729E-03   .151732250102E-03   .161723258793E-03   .172371196456E-03
   .183719162681E-03   .195813075181E-03   .208701853104E-03   .222437612158E-03   .237075872332E-03
   .252675778986E-03   .269300338178E-03   .287016667117E-03   .305896260713E-03   .326015275242E-03
   .347454830188E-03   .370301329441E-03   .394646803036E-03   .420589270757E-03   .448233128946E-03
   .477689562001E-03   .509076980088E-03   .542521484709E-03   .578157363861E-03   .616127618631E-03
   .656584523168E-03   .699690220109E-03   .745617353632E-03   .794549742481E-03   .846683095389E-03
   .902225771526E-03   .961399588699E-03   .102444068224E-02   .109160041766E-02   .116314636027E-02
   .123936330534E-02   .132055437229E-02   .140704216687E-02   .149917001532E-02   .159730327486E-02
   .170183072500E-02   .181316604445E-02   .193174937867E-02   .205804900338E-02   .219256308964E-02
   .233582157635E-02   .248838815641E-02   .265086238310E-02   .282388190341E-02   .300812482576E-02
   .320431222944E-02   .341321082396E-02   .363563576644E-02   .387245364601E-02   .412458564415E-02
   .439301088078E-02   .467876995601E-02   .498296869806E-02   .530678212831E-02   .565145865486E-02
   .601832450658E-02   .640878841994E-02   .682434659150E-02   .726658790948E-02   .773719947818E-02
   .823797244965E-02   .877080817735E-02   .933772470722E-02   .994086362171E-02   .105824972531E-01
   .112650362829E-01   .119910377433E-01   .127632134399E-01   .135844388111E-01   .144577622441E-01
   .153864148634E-01   .163738208122E-01   .174236080432E-01   .185396196377E-01   .197259256706E-01
   .209868356391E-01   .223269114720E-01   .237509811369E-01   .252641528593E-01   .268718299708E-01
   .285797263970E-01   .303938828004E-01   .323206833847E-01   .343668733724E-01   .365395771581E-01
   .388463171429E-01   .412950332480E-01   .438941031033E-01   .466523629042E-01   .495791289213E-01
   .526842196464E-01   .559779785495E-01   .594712974148E-01   .631756402191E-01   .671030675022E-01
   .712662611768E-01   .756785497076E-01   .803539335844E-01   .853071109979E-01   .905535036149E-01
   .961092823336E-01   .101991392886E+00   .108217581135E+00   .114806417891E+00   .121777323066E+00
   .129150588943E+00   .136947402324E+00   .145189865301E+00   .153901014352E+00   .163104837444E+00
   .172826288805E+00   .183091300959E+00   .193926793635E+00   .205360679071E+00   .217421863247E+00
   .230140242492E+00   .243546694913E+00   .257673066026E+00   .272552147933E+00   .288217651336E+00
   .304704169664E+00   .322047134505E+00   .340282761512E+00   .359447985923E+00   .379580386761E+00
   .400718098759E+00   .422899711034E+00   .446164151471E+00   .470550555773E+00   .496098120117E+00
   .522845936323E+00   .550832808460E+00   .580097049822E+00   .610676259202E+00   .642607075471E+00
   .675924909479E+00   .710663652389E+00   .746855359642E+00   .784529909868E+00   .823714638198E+00
   .864433943582E+00   .906708869968E+00   .950556661362E+00   .995990291124E+00   .104301796611E+01
   .109164260662E+01   .114186130363E+01   .119366475488E+01   .124703668237E+01   .130195323380E+01
   .135838237157E+01   .141628325299E+01   .147560560672E+01   .153628911031E+01   .159826277524E+01
   .166144434602E+01   .172573972093E+01   .179104240281E+01   .185723298887E+01   .192417870953E+01
   .199173302679E+01   .205973530355E+01   .212801055564E+01   .219636929928E+01   .226460750671E+01
   .233250668330E+01   .239983407940E+01   .246634305053E+01   .253177357856E+01   .259585296684E+01
   .265829672076E+01   .271880962463E+01   .277708702399E+01   .283281632099E+01   .288567868813E+01
   .293535100324E+01   .298150800565E+01   .302382467008E+01   .306197879136E+01   .309565376868E+01
   .312454157393E+01   .314834588399E+01   .316678535168E+01   .317959698537E+01   .318653960172E+01
   .318739731108E+01   .318198299002E+01   .317014169081E+01   .315175393296E+01   .312673881878E+01
   .309505691121E+01   .305671281039E+01   .301175736428E+01   .296028944858E+01   .290245725290E+01
   .283845901318E+01   .276854313492E+01   .269300765859E+01   .261219902697E+01   .252651012442E+01
   .243637757071E+01   .234227826612E+01   .224472520064E+01   .214426255778E+01   .204146016233E+01
   .193690734109E+01   .183120628548E+01   .172496502364E+01   .161879013072E+01   .151327931436E+01
   .140901403108E+01   .130655229498E+01   .120642184091E+01   .110911380351E+01   .101507706536E+01
   .924713415287E+00   .838373638738E+00   .756354633201E+00   .678897594052E+00   .606187236400E+00
   .538351896408E+00   .475464205924E+00   .417541937254E+00   .364548734839E+00   .316394938044E+00
   .272939426364E+00   .233993809082E+00   .199329712305E+00   .168688507967E+00   .141791603202E+00
   .118349382811E+00   .980680113325E-01   .806544733117E-01   .658206202508E-01   .532867336649E-01
   .427847431325E-01   .340610365648E-01   .268787587943E-01   .210195270993E-01   .162845404577E-01
   .124951006767E-01   .949259334725E-02   .713799599173E-02   .531099208522E-02   .390877477541E-02
   .284462447957E-02   .204634106180E-02   .145460473349E-02   .102133087525E-02   .708073374340E-03
   .484519560765E-03   .327108148624E-03   .217790419037E-03
 kinetic energy-density
   .187149272566E-01   .190029016528E-01   .193021383520E-01   .196131445331E-01   .199364668482E-01
   .202726831041E-01   .206224041703E-01   .209862753360E-01   .213649778729E-01   .217592307042E-01
   .221697921893E-01   .225974620544E-01   .230430834585E-01   .235075452233E-01   .239917842237E-01
   .244967879609E-01   .250235973262E-01   .255733095592E-01   .261470814287E-01   .267461326327E-01
   .273717494355E-01   .280252885669E-01   .287081813606E-01   .294219382048E-01   .301681532636E-01
   .309485095218E-01   .317647841490E-01   .326188542310E-01   .335127028323E-01   .344484255235E-01
   .354282371948E-01   .364544794691E-01   .375296284508E-01   .386563030240E-01   .398372736687E-01
   .410754718683E-01   .423740000125E-01   .437361420645E-01   .451653748014E-01   .466653797901E-01
   .482400561570E-01   .498935341207E-01   .516301894220E-01   .534546586408E-01   .553718554950E-01
   .573869882016E-01   .595055778913E-01   .617334782350E-01   .640768963281E-01   .665424148420E-01
   .691370156842E-01   .718681050854E-01   .747435402840E-01   .777716580423E-01   .809613048245E-01
   .843218689283E-01   .878633147711E-01   .915962193527E-01   .955318108150E-01   .996820098605E-01
   .104059473466E+00   .108677641585E+00   .113550786803E+00   .118694067089E+00   .124123581995E+00
   .129856432521E+00   .135910784469E+00   .142305936459E+00   .149062391504E+00   .156201933897E+00
   .163747710518E+00   .171724317478E+00   .180157892402E+00   .189076212387E+00   .198508798378E+00
   .208487026104E+00   .219044244082E+00   .230215899162E+00   .242039670048E+00   .254555609264E+00
   .267806294183E+00   .281836987641E+00   .296695808659E+00   .312433914112E+00   .329105691757E+00
   .346768965584E+00   .365485214034E+00   .385319802119E+00   .406342228041E+00   .428626385361E+00
   .452250841902E+00   .477299135691E+00   .503860089876E+00   .532028147324E+00   .561903725927E+00
   .593593596265E+00   .627211282887E+00   .662877490414E+00   .700720556173E+00   .740876931071E+00
   .783491690049E+00   .828719074092E+00   .876723065934E+00   .927678000833E+00   .981769215175E+00
   .103919373456E+01   .110016100428E+01   .116489366388E+01   .123362836932E+01   .130661666466E+01
   .138412590656E+01   .146644024463E+01   .155386166052E+01   .164671106948E+01   .174532948751E+01
   .185007926809E+01   .196134541224E+01   .207953695573E+01   .220508843837E+01   .233846145866E+01
   .248014631989E+01   .263066377108E+01   .279056684906E+01   .296044282603E+01   .314091526877E+01
   .333264621471E+01   .353633847128E+01   .375273804390E+01   .398263670078E+01   .422687467799E+01
   .448634353582E+01   .476198916903E+01   .505481498233E+01   .536588523522E+01   .569632856593E+01
   .604734170172E+01   .642019336275E+01   .681622836857E+01   .723687195545E+01   .768363431125E+01
   .815811533885E+01   .866200965348E+01   .919711182443E+01   .976532186826E+01   .103686510014E+02
   .110092276605E+02   .116893037974E+02   .124112614561E+02   .131776196376E+02   .139910414599E+02
   .148543416164E+02   .157704941386E+02   .167426404663E+02   .177740978254E+02   .188683679172E+02
   .200291459156E+02   .212603297708E+02   .225660298148E+02   .239505786611E+02   .254185413897E+02
   .269747260040E+02   .286241941448E+02   .303722720411E+02   .322245616746E+02   .341869521299E+02
   .362656310986E+02   .384670964953E+02   .407981681485E+02   .432659995054E+02   .458780893047E+02
   .486422931402E+02   .515668348501E+02   .546603176435E+02   .579317348741E+02   .613904803553E+02
   .650463581030E+02   .689095913788E+02   .729908308934E+02   .773011620136E+02   .818521108089E+02
   .866556487471E+02   .917241958441E+02   .970706220433E+02   .102708246595E+03   .108650835174E+03
   .114912594467E+03   .121508163936E+03   .128452604432E+03   .135761383343E+03   .143450355903E+03
   .151535742297E+03   .160034100166E+03   .168962292084E+03   .178337447588E+03   .188176919311E+03
   .198498232731E+03   .209319029088E+03   .220657000954E+03   .232529819984E+03   .244955056327E+03
   .257950089232E+03   .271532008341E+03   .285717505210E+03   .300522754616E+03   .315963285221E+03
   .332053839245E+03   .348808220795E+03   .366239132631E+03   .384358001152E+03   .403174789553E+03
   .422697799137E+03   .442933458957E+03   .463886104051E+03   .485557742726E+03   .507947813511E+03
   .531052932602E+03   .554866632844E+03   .579379095524E+03   .604576876521E+03   .630442628632E+03
   .656954822183E+03   .684087466359E+03   .711809833998E+03   .740086192954E+03   .768875547433E+03
   .798131393124E+03   .827801490198E+03   .857827658668E+03   .888145600844E+03   .918684755966E+03
   .949368192307E+03   .980112542272E+03   .101082798616E+04   .104141829035E+04   .107178090569E+04
   .110180713178E+04   .113138235255E+04   .116038634853E+04   .118869369036E+04   .121617421790E+04
   .124269360841E+04   .126811403643E+04   .129229492698E+04   .131509380267E+04   .133636722370E+04
   .135597181862E+04   .137376540192E+04   .138960817268E+04   .140336398711E+04   .141490169540E+04
   .142409653185E+04   .143083154490E+04   .143499905206E+04   .143650210272E+04   .143525593026E+04
   .143118937310E+04   .142424624329E+04   .141438661985E+04   .140158804370E+04   .138584659017E+04
   .136717779557E+04   .134561741424E+04   .132122198382E+04   .129406917745E+04   .126425792364E+04
   .123190827657E+04   .119716102241E+04   .116017701014E+04   .112113619867E+04   .108023641603E+04
   .103769182992E+04   .993731133613E+03   .948595455686E+03   .902536007070E+03   .855811484921E+03
   .808685259103E+03   .761422374678E+03   .714286418279E+03   .667536262337E+03   .621422839436E+03
   .576185893199E+03   .532050869837E+03   .489225992577E+03   .447899597254E+03   .408237795951E+03
   .370382528452E+03   .334450063979E+03   .300530043795E+03   .268685225931E+03   .238952207524E+03
   .211343498908E+03   .185851228955E+03   .162452188076E+03   .141112750295E+03   .121791110838E+03
   .104434777422E+03   .889742185649E+02   .753170557585E+02   .633476452647E+02   .529332849578E+02
   .439337166174E+02   .362092956323E+02   .296256559217E+02   .240555383153E+02   .193793214078E+02
   .154852579587E+02   .122697443525E+02   .963761241955E+01   .750235296988E+01   .578620180549E+01
   .442005836368E+01   .334323786417E+01   .250307633395E+01   .185441692586E+01   .135900893055E+01
   .984850383892E+00   .705502793867E+00   .499403134414E+00   .349194331708E+00   .241091270573E+00
   .164295079104E+00   .110464301462E+00   .732477232375E-01
 pspotential
  -.688889563991E+02  -.688859867412E+02  -.688831106037E+02  -.688803250462E+02  -.688776272155E+02
  -.688750143495E+02  -.688724837717E+02  -.688700328911E+02  -.688676591977E+02  -.688653602608E+02
  -.688631337259E+02  -.688609773126E+02  -.688588888128E+02  -.688568660880E+02  -.688549070663E+02
  -.688530097420E+02  -.688511721715E+02  -.688493924735E+02  -.688476688255E+02  -.688459994619E+02
  -.688443826738E+02  -.688428168048E+02  -.688413002519E+02  -.688398314619E+02  -.688384089307E+02
  -.688370312015E+02  -.688356968633E+02  -.688344045501E+02  -.688331529381E+02  -.688319407457E+02
  -.688307667317E+02  -.688296296939E+02  -.688285284677E+02  -.688274619257E+02  -.688264289758E+02
  -.688254285599E+02  -.688244596540E+02  -.688235212658E+02  -.688226124343E+02  -.688217322292E+02
  -.688208797490E+02  -.688200541209E+02  -.688192544994E+02  -.688184800661E+02  -.688177300278E+02
  -.688170036167E+02  -.688163000890E+02  -.688156187246E+02  -.688149588259E+02  -.688143197171E+02
  -.688137007442E+02  -.688131012737E+02  -.688125206918E+02  -.688119584042E+02  -.688114138354E+02
  -.688108864282E+02  -.688103756429E+02  -.688098809565E+02  -.688094018632E+02  -.688089378725E+02
  -.688084885101E+02  -.688080533160E+02  -.688076318451E+02  -.688072236665E+02  -.688068283628E+02
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  -.687961845329E+02  -.687961808611E+02  -.687961802249E+02  -.687961827209E+02  -.687961884551E+02
  -.687961975430E+02  -.687962101115E+02  -.687962262982E+02  -.687962462524E+02  -.687962701361E+02
  -.687962981243E+02  -.687963304059E+02  -.687963671847E+02  -.687964086798E+02  -.687964551267E+02
  -.687965067786E+02  -.687965639071E+02  -.687966268030E+02  -.687966957780E+02  -.687967711656E+02
  -.687968533224E+02  -.687969426296E+02  -.687970394944E+02  -.687971443510E+02  -.687972576630E+02
  -.687973799246E+02  -.687975116623E+02  -.687976534371E+02  -.687978058460E+02  -.687979695244E+02
  -.687981451479E+02  -.687983334348E+02  -.687985351483E+02  -.687987510986E+02  -.687989821460E+02
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  -.688095175087E+02  -.688104330157E+02  -.688114030976E+02  -.688124304797E+02  -.688135179554E+02
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  -.688931821176E+02  -.688903213577E+02  -.688863342755E+02  -.688810742143E+02  -.688743830182E+02
  -.688660909491E+02  -.688560167451E+02  -.688439678398E+02  -.688297407627E+02  -.688131217405E+02
  -.687938875149E+02  -.687718063933E+02  -.687466395421E+02  -.687181425318E+02  -.686860671328E+02
  -.686501633622E+02  -.686101817683E+02  -.685658759377E+02  -.685170052013E+02  -.684633375073E+02
  -.684046524231E+02  -.683407442210E+02  -.682714249958E+02  -.681965277544E+02  -.681159094160E+02
  -.680294536485E+02  -.679370734684E+02  -.678387135183E+02  -.677343519329E+02  -.676240016930E+02
  -.675077113559E+02  -.673855650367E+02  -.672576814981E+02  -.671242121853E+02  -.669853380203E+02
  -.668412647466E+02  -.666922165917E+02  -.665384279966E+02  -.663801331537E+02  -.662175531029E+02
  -.660508801689E+02  -.658802595975E+02  -.657057683725E+02  -.655273913819E+02  -.653449953790E+02
  -.651583015419E+02  -.649668578963E+02  -.647700134098E+02  -.645668961557E+02  -.643563985316E+02
  -.641371729807E+02  -.639076418840E+02  -.636660250861E+02  -.634103877206E+02  -.631387094822E+02
  -.628489742078E+02  -.625392757157E+02  -.622079326486E+02  -.618536021106E+02  -.614753798876E+02
  -.610728746490E+02  -.606462452159E+02  -.601961937686E+02  -.597239132786E+02  -.592309935141E+02
  -.587192955012E+02  -.581908081958E+02  -.576475026417E+02  -.570911979412E+02  -.565234504120E+02
  -.559454731997E+02  -.553580892927E+02  -.547617171356E+02  -.541563853081E+02  -.535413959031E+02
  -.529440596403E+02  -.523371726302E+02  -.517437282672E+02  -.511316376789E+02  -.504857670576E+02
  -.498097462626E+02  -.491001980528E+02  -.483609990814E+02
 core charge-density (pseudized)
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
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   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00   .000000000000E+00
   .000000000000E+00   .000000000000E+00   .000000000000E+00
 pseudo wavefunction
   .717870223758E-04   .741213572537E-04   .765315988782E-04   .790202155471E-04   .815897558215E-04
   .842428511349E-04   .869822184888E-04   .898106632347E-04   .927310819471E-04   .957464653899E-04
   .988599015791E-04   .102074578945E-03   .105393789599E-03   .108820932702E-03   .112359517948E-03
   .116013169158E-03   .119785627989E-03   .123680757769E-03   .127702547451E-03   .131855115698E-03
   .136142715104E-03   .140569736545E-03   .145140713676E-03   .149860327579E-03   .154733411549E-03
   .159764956050E-03   .164960113823E-03   .170324205164E-03   .175862723369E-03   .181581340366E-03
   .187485912517E-03   .193582486619E-03   .199877306096E-03   .206376817394E-03   .213087676578E-03
   .220016756154E-03   .227171152104E-03   .234558191154E-03   .242185438276E-03   .250060704436E-03
   .258192054594E-03   .266587815961E-03   .275256586530E-03   .284207243875E-03   .293448954252E-03
   .302991181977E-03   .312843699121E-03   .323016595522E-03   .333520289111E-03   .344365536584E-03
   .355563444420E-03   .367125480251E-03   .379063484606E-03   .391389683042E-03   .404116698657E-03
   .417257565021E-03   .430825739524E-03   .444835117154E-03   .459300044732E-03   .474235335597E-03
   .489656284785E-03   .505578684683E-03   .522018841210E-03   .538993590510E-03   .556520316196E-03
   .574616967150E-03   .593302075909E-03   .612594777639E-03   .632514829730E-03   .653082632036E-03
   .674319247758E-03   .696246425021E-03   .718886619138E-03   .742263015616E-03   .766399553891E-03
   .791320951847E-03   .817052731131E-03   .843621243284E-03   .871053696732E-03   .899378184647E-03
   .928623713715E-03   .958820233842E-03   .989998668827E-03   .102219094803E-02   .105543003905E-02
   .108974998154E-02   .112518592198E-02   .116177414977E-02   .119955213430E-02   .123855856337E-02
   .127883338282E-02   .132041783739E-02   .136335451299E-02   .140768738032E-02   .145346183985E-02
   .150072476836E-02   .154952456692E-02   .159991121047E-02   .165193629897E-02   .170565311025E-02
   .176111665459E-02   .181838373103E-02   .187751298552E-02   .193856497102E-02   .200160220943E-02
   .206668925571E-02   .213389276389E-02   .220328155539E-02   .227492668944E-02   .234890153590E-02
   .242528185032E-02   .250414585157E-02   .258557430190E-02   .266965058962E-02   .275646081454E-02
   .284609387606E-02   .293864156425E-02   .303419865378E-02   .313286300101E-02   .323473564415E-02
   .333992090671E-02   .344852650429E-02   .356066365493E-02   .367644719288E-02   .379599568624E-02
   .391943155828E-02   .404688121284E-02   .417847516365E-02   .431434816801E-02   .445463936466E-02
   .459949241628E-02   .474905565649E-02   .490348224167E-02   .506293030778E-02   .522756313214E-02
   .539754930056E-02   .557306287991E-02   .575428359618E-02   .594139701845E-02   .613459474876E-02
   .633407461814E-02   .654004088904E-02   .675270446428E-02   .697228310286E-02   .719900164264E-02
   .743309223039E-02   .767479455916E-02   .792435611347E-02   .818203242234E-02   .844808732062E-02
   .872279321870E-02   .900643138100E-02   .929929221346E-02   .960167556038E-02   .991389101080E-02
   .102362582149E-01   .105691072103E-01   .109127787597E-01   .112676246982E-01   .116340082934E-01
   .120123046152E-01   .124029009196E-01   .128061970435E-01   .132226058123E-01   .136525534616E-01
   .140964800712E-01   .145548400143E-01   .150281024199E-01   .155167516514E-01   .160212877994E-01
   .165422271909E-01   .170801029149E-01   .176354653644E-01   .182088827962E-01   .188009419083E-01
   .194122484359E-01   .200434277663E-01   .206951255733E-01   .213680084719E-01   .220627646942E-01
   .227801047854E-01   .235207623239E-01   .242854946618E-01   .250750836907E-01   .258903366305E-01
   .267320868433E-01   .276011946728E-01   .284985483096E-01   .294250646840E-01   .303816903863E-01
   .313694026150E-01   .323892101552E-01   .334421543865E-01   .345293103217E-01   .356517876776E-01
   .368107319777E-01   .380073256888E-01   .392427893909E-01   .405183829834E-01   .418354069253E-01
   .431952035137E-01   .445991581984E-01   .460487009354E-01   .475453075791E-01   .490905013146E-01
   .506858541297E-01   .523329883290E-01   .540335780891E-01   .557893510568E-01   .576020899897E-01
   .594736344407E-01   .614058824867E-01   .634007925008E-01   .654603849697E-01   .675867443550E-01
   .697820209999E-01   .720484330798E-01   .743882685971E-01   .768038874195E-01   .792977233616E-01
   .818722863080E-01   .845301643767E-01   .872740261228E-01   .901066227780E-01   .930307905261E-01
   .960494528102E-01   .991656226692E-01   .102382405100E+00   .105702999438E+00   .109130701763E+00
   .112668907299E+00   .116321112836E+00   .120090919136E+00   .123982033332E+00   .127998271308E+00
   .132143560039E+00   .136421939896E+00   .140837566886E+00   .145394714824E+00   .150097777413E+00
   .154951270210E+00   .159959832471E+00   .165128228827E+00   .170461350794E+00   .175964218054E+00
   .181641979506E+00   .187499914020E+00   .193543430884E+00   .199778069861E+00   .206209500841E+00
   .212843523008E+00   .219686063465E+00   .226743175253E+00   .234021034673E+00   .241525937847E+00
   .249264296391E+00   .257242632131E+00   .265467570712E+00   .273945833995E+00   .282684231081E+00
   .291689647822E+00   .300969034623E+00   .310529392355E+00   .320377756172E+00   .330521176968E+00
   .340966700246E+00   .351721342092E+00   .362792061937E+00   .374185731763E+00   .385909101372E+00
   .397968759274E+00   .410371088750E+00   .423122218558E+00   .436227967737E+00   .449693783864E+00
   .463524674112E+00   .477725128349E+00   .492299033480E+00   .507249578134E+00   .522579146740E+00
   .538289201953E+00   .554380154284E+00   .570851217722E+00   .587700250025E+00   .604923576284E+00
   .622515794241E+00   .640469559787E+00   .658775350959E+00   .677421208693E+00   .696392452526E+00
   .715671369429E+00   .735236873906E+00   .755064137588E+00   .775124186577E+00   .795383465008E+00
   .815803363485E+00   .836339711416E+00   .856942232728E+00   .877553965049E+00   .898110643238E+00
   .918540049169E+00   .938761330896E+00   .958684295874E+00   .978208684778E+00   .997223434628E+00
   .101560594258E+01   .103322134468E+01   .104992182737E+01   .106554599325E+01   .107991830700E+01
   .109284865167E+01   .110413203038E+01   .111354845314E+01   .112086305318E+01   .112582648089E+01
   .112815826033E+01   .112766526986E+01   .112429219396E+01   .111806470671E+01   .110902663553E+01
   .109723971270E+01   .108278313973E+01   .106575297316E+01
 ae wavefunction
  -.435742517947E-03  -.449893177036E-03  -.464503226381E-03  -.479587570063E-03  -.495161595061E-03
  -.511241186854E-03  -.527842745526E-03  -.544983202382E-03  -.562680037106E-03  -.580951295461E-03
  -.599815607567E-03  -.619292206750E-03  -.639400949017E-03  -.660162333128E-03  -.681597521339E-03
  -.703728360783E-03  -.726577405556E-03  -.750167939497E-03  -.774523999699E-03  -.799670400771E-03
  -.825632759880E-03  -.852437522580E-03  -.880111989478E-03  -.908684343740E-03  -.938183679480E-03
  -.968640031044E-03  -.100008440323E-02  -.103254880249E-02  -.106606626906E-02  -.110067091020E-02
  -.113639793438E-02  -.117328368669E-02  -.121136568521E-02  -.125068265865E-02  -.129127458513E-02
  -.133318273222E-02  -.137644969815E-02  -.142111945447E-02  -.146723738990E-02  -.151485035564E-02
  -.156400671213E-02  -.161475637720E-02  -.166715087575E-02  -.172124339103E-02  -.177708881751E-02
  -.183474381533E-02  -.189426686652E-02  -.195571833299E-02  -.201916051623E-02  -.208465771892E-02
  -.215227630849E-02  -.222208478256E-02  -.229415383644E-02  -.236855643275E-02  -.244536787308E-02
  -.252466587200E-02  -.260653063319E-02  -.269104492797E-02  -.277829417628E-02  -.286836652997E-02
  -.296135295881E-02  -.305734733898E-02  -.315644654424E-02  -.325875053997E-02  -.336436247986E-02
  -.347338880566E-02  -.358593934981E-02  -.370212744121E-02  -.382207001408E-02  -.394588772003E-02
  -.407370504355E-02  -.420565042075E-02  -.434185636172E-02  -.448245957638E-02  -.462760110401E-02
  -.477742644658E-02  -.493208570585E-02  -.509173372452E-02  -.525653023127E-02  -.542663999011E-02
  -.560223295378E-02  -.578348442162E-02  -.597057520176E-02  -.616369177789E-02  -.636302648065E-02
  -.656877766365E-02  -.678114988445E-02  -.700035409032E-02  -.722660780908E-02  -.746013534500E-02
  -.770116797996E-02  -.794994417981E-02  -.820670980623E-02  -.847171833394E-02  -.874523107357E-02
  -.902751740010E-02  -.931885498706E-02  -.961953004655E-02  -.992983757504E-02  -.102500816052E-01
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  -.123984429509E-01  -.127975701174E-01  -.132094235654E-01  -.136344009872E-01  -.140729119656E-01
  -.145253782923E-01  -.149922342937E-01  -.154739271620E-01  -.159709172922E-01  -.164836786248E-01
  -.170126989948E-01  -.175584804848E-01  -.181215397845E-01  -.187024085548E-01  -.193016337964E-01
  -.199197782231E-01  -.205574206391E-01  -.212151563204E-01  -.218935973989E-01  -.225933732497E-01
  -.233151308810E-01  -.240595353255E-01  -.248272700327E-01  -.256190372626E-01  -.264355584778E-01
  -.272775747364E-01  -.281458470807E-01  -.290411569250E-01  -.299643064382E-01  -.309161189217E-01
  -.318974391810E-01  -.329091338894E-01  -.339520919425E-01  -.350272248024E-01  -.361354668290E-01
  -.372777755970E-01  -.384551321973E-01  -.396685415195E-01  -.409190325138E-01  -.422076584303E-01
  -.435354970318E-01  -.449036507795E-01  -.463132469854E-01  -.477654379319E-01  -.492614009518E-01
  -.508023384670E-01  -.523894779821E-01  -.540240720271E-01  -.557073980463E-01  -.574407582283E-01
  -.592254792716E-01  -.610629120806E-01  -.629544313867E-01  -.649014352884E-01  -.669053447033E-01
  -.689676027260E-01  -.710896738847E-01  -.732730432877E-01  -.755192156539E-01  -.778297142169E-01
  -.802060794943E-01  -.826498679133E-01  -.851626502822E-01  -.877460100970E-01  -.904015416732E-01
  -.931308480896E-01  -.959355389333E-01  -.988172278336E-01  -.101777529769E+00  -.104818058135E+00
  -.107940421563E+00  -.111146220461E+00  -.114437043280E+00  -.117814462472E+00  -.121280030132E+00
  -.124835273308E+00  -.128481688949E+00  -.132220738490E+00  -.136053842035E+00  -.139982372135E+00
  -.144007647128E+00  -.148130924032E+00  -.152353390950E+00  -.156676158992E+00  -.161100253670E+00
  -.165626605748E+00  -.170256041537E+00  -.174989272593E+00  -.179826884815E+00  -.184769326900E+00
  -.189816898153E+00  -.194969735618E+00  -.200227800511E+00  -.205590863939E+00  -.211058491884E+00
  -.216630029429E+00  -.222304584222E+00  -.228081009153E+00  -.233957884239E+00  -.239933497701E+00
  -.246005826237E+00  -.252172514476E+00  -.258430853626E+00  -.264777759312E+00  -.271209748616E+00
  -.277722916340E+00  -.284312910504E+00  -.290974907116E+00  -.297703584239E+00  -.304493095405E+00
  -.311337042424E+00  -.318228447646E+00  -.325159725750E+00  -.332122655133E+00  -.339108349001E+00
  -.346107226258E+00  -.353108982305E+00  -.360102559894E+00  -.367076120170E+00  -.374017014061E+00
  -.380911754200E+00  -.387745987563E+00  -.394504469032E+00  -.401171036125E+00  -.407728585119E+00
  -.414159048843E+00  -.420443376428E+00  -.426561515308E+00  -.432492395804E+00  -.438213918634E+00
  -.443702945710E+00  -.448935294606E+00  -.453885737104E+00  -.458528002233E+00  -.462834784249E+00
  -.466777755996E+00  -.470327588142E+00  -.473453974758E+00  -.476125665740E+00  -.478310506592E+00
  -.479975486076E+00  -.481086792249E+00  -.481609877413E+00  -.481509532496E+00  -.480749971371E+00
  -.479294925619E+00  -.477107750216E+00  -.474151540602E+00  -.470389261561E+00  -.465783888302E+00
  -.460298560072E+00  -.453896746594E+00  -.446542427526E+00  -.438200285079E+00  -.428835909804E+00
  -.418416019475E+00  -.406908690835E+00  -.394283603848E+00  -.380512297898E+00  -.365568439236E+00
  -.349428098716E+00  -.332070038708E+00  -.313476007769E+00  -.293631041509E+00  -.272523767779E+00
  -.250146714166E+00  -.226496615562E+00  -.201574719441E+00  -.175387086446E+00  -.147944883820E+00
  -.119264669340E+00  -.893686635019E-01  -.582850078665E-01  -.260480075826E-01   .730164389810E-02
   .417166601866E-01   .771429803763E-01   .113519614909E+00   .150778525779E+00   .188844552184E+00
   .227635399600E+00   .267061721085E+00   .307027335378E+00   .347429645854E+00   .388160339023E+00
   .429106427031E+00   .470151609649E+00   .511177717128E+00   .552065672491E+00   .592695180096E+00
   .632942588996E+00   .672677320253E+00   .711758452074E+00   .750033482899E+00   .787340238686E+00
   .823511018127E+00   .858377021983E+00   .891771646742E+00   .923532423259E+00   .953502106838E+00
   .981529483979E+00   .100747023338E+01   .103118796300E+01   .105255541998E+01   .107145581493E+01
   .108778418556E+01   .110144872741E+01   .111237203157E+01   .112049218446E+01   .112576369931E+01
   .112815826033E+01   .112766526986E+01   .112429219396E+01   .111806470671E+01   .110902663553E+01
   .109723971270E+01   .108278313973E+01   .106575297316E+01
 pseudo wavefunction
   .343855759999E-05   .355037091431E-05   .366582011861E-05   .378502344294E-05   .390810296192E-05
   .403518471972E-05   .416639885916E-05   .430187975496E-05   .444176615139E-05   .458620130432E-05
   .473533312795E-05   .488931434630E-05   .504830264954E-05   .521246085559E-05   .538195707675E-05
   .555696489195E-05   .573766352444E-05   .592423802539E-05   .611687946334E-05   .631578511993E-05
   .652115869188E-05   .673321049961E-05   .695215770267E-05   .717822452205E-05   .741164246986E-05
   .765265058641E-05   .790149568498E-05   .815843260462E-05   .842372447107E-05   .869764296629E-05
   .898046860662E-05   .927249103011E-05   .957400929309E-05   .988533217644E-05   .102067785018E-04
   .105386774582E-04   .108813689389E-04   .112352038896E-04   .116005446680E-04   .119777654148E-04
   .123672524366E-04   .127694046018E-04   .131846337490E-04   .136133651087E-04   .140560377388E-04
   .145131049742E-04   .149850348913E-04   .154723107868E-04   .159754316731E-04   .164949127894E-04
   .170312861287E-04   .175851009835E-04   .181569245074E-04   .187473422966E-04   .193569589894E-04
   .199863988852E-04   .206363065839E-04   .213073476463E-04   .220002092752E-04   .227156010196E-04
   .234542555009E-04   .242169291636E-04   .250044030495E-04   .258174835978E-04   .266570034709E-04
   .275238224070E-04   .284188281007E-04   .293429371118E-04   .302970958040E-04   .312822813141E-04
   .322995025525E-04   .333498012366E-04   .344342529572E-04   .355539682800E-04   .367100938833E-04
   .379038137315E-04   .391363502881E-04   .404089657674E-04   .417229634265E-04   .430796889008E-04
   .444805315809E-04   .459269260360E-04   .474203534828E-04   .489623433018E-04   .505544746039E-04
   .521983778470E-04   .538957365056E-04   .556482887945E-04   .574578294490E-04   .593262115619E-04
   .612553484816E-04   .632472157708E-04   .653038532291E-04   .674273669822E-04   .696199316373E-04
   .718837925106E-04   .742212679252E-04   .766347515854E-04   .791267150267E-04   .816997101468E-04
   .843563718176E-04   .870994205827E-04   .899316654427E-04   .928560067304E-04   .958754390803E-04
   .989930544934E-04   .102212045502E-03   .105535708440E-03   .108967446812E-03   .112510774780E-03
   .116169320763E-03   .119946831142E-03   .123847174103E-03   .127874343589E-03   .132032463391E-03
   .136325791364E-03   .140758723789E-03   .145335799862E-03   .150061706349E-03   .154941282370E-03
   .159979524357E-03   .165181591158E-03   .170552809320E-03   .176098678529E-03   .181824877239E-03
   .187737268477E-03   .193841905835E-03   .200145039660E-03   .206653123444E-03   .213372820413E-03
   .220311010347E-03   .227474796596E-03   .234871513348E-03   .242508733111E-03   .250394274453E-03
   .258536209979E-03   .266942874576E-03   .275622873916E-03   .284585093239E-03   .293838706418E-03
   .303393185310E-03   .313258309418E-03   .323444175857E-03   .333961209642E-03   .344820174308E-03
   .356032182868E-03   .367608709128E-03   .379561599355E-03   .391903084331E-03   .404645791781E-03
   .417802759207E-03   .431387447123E-03   .445413752722E-03   .459896023967E-03   .474849074139E-03
   .490288196839E-03   .506229181472E-03   .522688329216E-03   .539682469498E-03   .557228976984E-03
   .575345789108E-03   .594051424152E-03   .613364999882E-03   .633306252776E-03   .653895557846E-03
   .675153949069E-03   .697103140461E-03   .719765547788E-03   .743164310953E-03   .767323317057E-03
   .792267224172E-03   .818021485824E-03   .844612376222E-03   .872067016233E-03   .900413400142E-03
   .929680423194E-03   .959897909947E-03   .991096643458E-03   .102330839531E-02   .105656595649E-02
   .109090316917E-02   .112635495935E-02   .116295737043E-02   .120074759770E-02   .123976402378E-02
   .128004625494E-02   .132163515849E-02   .136457290103E-02   .140890298774E-02   .145467030259E-02
   .150192114958E-02   .155070329491E-02   .160106601018E-02   .165306011643E-02   .170673802930E-02
   .176215380493E-02   .181936318694E-02   .187842365412E-02   .193939446909E-02   .200233672767E-02
   .206731340898E-02   .213438942628E-02   .220363167832E-02   .227510910123E-02   .234889272086E-02
   .242505570531E-02   .250367341765E-02   .258482346872E-02   .266858576958E-02   .275504258375E-02
   .284427857874E-02   .293638087674E-02   .303143910420E-02   .312954543990E-02   .323079466121E-02
   .333528418807E-02   .344311412431E-02   .355438729574E-02   .366920928440E-02   .378768845849E-02
   .390993599701E-02   .403606590856E-02   .416619504321E-02   .430044309660E-02   .443893260498E-02
   .458178893018E-02   .472914023288E-02   .488111743283E-02   .503785415421E-02   .519948665428E-02
   .536615373310E-02   .553799662213E-02   .571515884885E-02   .589778607469E-02   .608602590282E-02
   .628002765238E-02   .647994209485E-02   .668592114830E-02   .689811752438E-02   .711668432243E-02
   .734177456465E-02   .757354066520E-02   .781213382564E-02   .805770334804E-02   .831039585610E-02
   .857035441362E-02   .883771752832E-02   .911261802757E-02   .939518179119E-02   .968552632449E-02
   .998375915303E-02   .102899760181E-01   .106042588496E-01   .109266734901E-01   .112572671412E-01
   .115960654985E-01   .119430695398E-01   .122982519240E-01   .126615529556E-01   .130328760625E-01
   .134120827296E-01   .137989868226E-01   .141933482297E-01   .145948657392E-01   .150031690611E-01
   .154178098909E-01   .158382518989E-01   .162638595185E-01   .166938853859E-01   .171274562738E-01
   .175635573352E-01   .180010144584E-01   .184384745075E-01   .188743831996E-01   .193069603411E-01
   .197341721149E-01   .201537000800E-01   .205629065081E-01   .209587956454E-01   .213379704514E-01
   .216965843224E-01   .220302872721E-01   .223341659983E-01   .226026772302E-01   .228295737141E-01
   .230078221730E-01   .231295125546E-01   .231857578830E-01   .231665840450E-01   .230608088842E-01
   .228559100556E-01   .225378812130E-01   .220910762784E-01   .214980417913E-01   .207393376687E-01
   .197933471468E-01   .186360772443E-01   .172409518109E-01   .155786001262E-01   .136166451323E-01
   .113194967438E-01   .864815731154E-02   .556004826093E-02   .200886919547E-02  -.205549662129E-02
  -.668701351940E-02  -.119434412162E-01  -.178861753538E-01  -.245799531729E-01  -.320923928314E-01
  -.404933311070E-01  -.498539208502E-01  -.602454469396E-01  -.717378181025E-01  -.843976923881E-01
  -.982572463524E-01  -.113431938710E+00  -.129962815882E+00  -.147925476302E+00  -.167397789939E+00
  -.188460087115E+00  -.211195414457E+00  -.235689872331E+00
 ae wavefunction
  -.655609122826E-05  -.676899905707E-05  -.698881876848E-05  -.721577460561E-05  -.745009807708E-05
  -.769202819182E-05  -.794181170128E-05  -.819970334956E-05  -.846596613143E-05  -.874087155877E-05
  -.902469993540E-05  -.931774064088E-05  -.962029242330E-05  -.993266370149E-05  -.102551728769E-04
  -.105881486555E-04  -.109319303798E-04  -.112868683719E-04  -.116533242870E-04  -.120316714784E-04
  -.124222953746E-04  -.128255938674E-04  -.132419777136E-04  -.136718709483E-04  -.141157113126E-04
  -.145739506937E-04  -.150470555800E-04  -.155355075299E-04  -.160398036561E-04  -.165604571246E-04
  -.170979976704E-04  -.176529721286E-04  -.182259449831E-04  -.188174989321E-04  -.194282354715E-04
  -.200587754973E-04  -.207097599266E-04  -.213818503374E-04  -.220757296304E-04  -.227921027095E-04
  -.235316971854E-04  -.242952641000E-04  -.250835786742E-04  -.258974410793E-04  -.267376772313E-04
  -.276051396118E-04  -.285007081127E-04  -.294252909085E-04  -.303798253547E-04  -.313652789153E-04
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  -.428013551813E-02  -.398514854792E-02  -.366337816942E-02  -.331383123541E-02  -.293555729625E-02
  -.252766090487E-02  -.208931534729E-02  -.161977790723E-02  -.111840677698E-02  -.584679729454E-03
  -.182146683025E-04   .581207825300E-03   .121361982960E-02   .187883918292E-02   .257644022787E-02
   .330572207936E-02   .406567429712E-02   .485493984432E-02   .567177521530E-02   .651400761775E-02
   .737898909896E-02   .826354751388E-02   .916393424625E-02   .100757686173E-01   .109939789522E-01
   .119127403294E-01   .128254091164E-01   .137244545094E-01   .146013874512E-01   .154466875247E-01
   .162497287251E-01   .169987054222E-01   .176805603012E-01   .182809164509E-01   .187840155702E-01
   .191726625170E-01   .194281718035E-01   .195303036636E-01   .194571691115E-01   .191850840508E-01
   .186883725185E-01   .179391559182E-01   .169071927011E-01   .155598196063E-01   .138619906720E-01
   .117763573181E-01   .926332827185E-02   .628108658620E-02   .278557796959E-02  -.126950532033E-02
  -.593272908570E-02  -.112549051725E-01  -.172890643319E-01  -.240904181795E-01  -.317163150650E-01
  -.402261943607E-01  -.496815431480E-01  -.601458588641E-01  -.716846213574E-01  -.843652780355E-01
  -.982572463524E-01  -.113431938710E+00  -.129962815882E+00  -.147925476302E+00  -.167397789939E+00
  -.188460087115E+00  -.211195414457E+00  -.235689872331E+00
 pseudo wavefunction
   .563540859347E-08   .600786626449E-08   .640494055630E-08   .682825844040E-08   .727955441873E-08
   .776067763064E-08   .827359942951E-08   .882042146020E-08   .940338427033E-08   .100248764907E-07
   .106874446223E-07   .113938034707E-07   .121468472693E-07   .129496615384E-07   .138055357278E-07
   .147179766947E-07   .156907230730E-07   .167277605920E-07   .178333384073E-07   .190119865113E-07
   .202685342946E-07   .216081303335E-07   .230362634864E-07   .245587853833E-07   .261819344024E-07
   .279123612313E-07   .297571561175E-07   .317238779199E-07   .338205850803E-07   .360558686425E-07
   .384388874527E-07   .409794056871E-07   .436878328599E-07   .465752664748E-07   .496535374959E-07
   .529352588242E-07   .564338769774E-07   .601637271855E-07   .641400921283E-07   .683792645541E-07
   .728986140379E-07   .777166581514E-07   .828531383365E-07   .883291007943E-07   .941669827191E-07
   .100390704233E-06   .107025766396E-06   .114099355693E-06   .121640455429E-06   .129679964484E-06
   .138250823918E-06   .147388151945E-06   .157129387824E-06   .167514445263E-06   .178585875960E-06
   .190389043959E-06   .202972311517E-06   .216387237268E-06   .230688787478E-06   .245935561260E-06
   .262190030684E-06   .279518796742E-06   .297992862244E-06   .317687922738E-06   .338684676672E-06
   .361069156038E-06   .384933078884E-06   .410374225117E-06   .437496837143E-06   .466412046989E-06
   .497238331653E-06   .530101998551E-06   .565137703044E-06   .602489000172E-06   .642308932854E-06
   .684760658963E-06   .730018119842E-06   .778266753009E-06   .829704251961E-06   .884541376196E-06
   .943002814778E-06   .100532810696E-05   .107177262367E-05   .114260861386E-05   .121812631999E-05
   .129863516728E-05   .138446503151E-05   .147596759065E-05   .157351776580E-05   .167751525736E-05
   .178838618277E-05   .190658482240E-05   .203259548094E-05   .216693447172E-05   .231015223223E-05
   .246283557942E-05   .262561011405E-05   .279914278403E-05   .298414461703E-05   .318137363380E-05
   .339163795400E-05   .361579910726E-05   .385477556313E-05   .410954649424E-05   .438115578827E-05
   .467071632493E-05   .497941453575E-05   .530851526509E-05   .565936695252E-05   .603340715757E-05
   .643216844969E-05   .685728468745E-05   .731049771266E-05   .779366448694E-05   .830876469991E-05
   .885790888011E-05   .944334704203E-05   .100674779045E-04   .107328587184E-04   .114422157435E-04
   .121984554180E-04   .130046762663E-04   .138641815928E-04   .147804930159E-04   .157573648950E-04
   .167987997114E-04   .179090644660E-04   .190927081599E-04   .203545804298E-04   .216998514160E-04
   .231340329418E-04   .246630010932E-04   .262930202900E-04   .280307689477E-04   .298833668347E-04
   .318584042369E-04   .339639730489E-04   .362086999200E-04   .386017815894E-04   .411530225552E-04
   .438728752333E-04   .467724827673E-04   .498637246677E-04   .531592654645E-04   .566726065746E-04
   .604181415935E-04   .644112152397E-04   .686681861917E-04   .732064940741E-04   .780447308677E-04
   .832027170341E-04   .887015826677E-04   .945638540041E-04   .100813545640E-03   .107476258843E-03
   .114579286345E-03   .122151724057E-03   .130224590157E-03   .138830952031E-03   .148006061597E-03
   .157787499549E-03   .168215329124E-03   .179332260004E-03   .191183823034E-03   .203818556458E-03
   .217288204431E-03   .231647928618E-03   .246956533745E-03   .263276708003E-03   .280675279299E-03
   .299223488379E-03   .318997279940E-03   .340077612913E-03   .362550791159E-03   .386508815934E-03
   .412049761538E-03   .439278175667E-03   .468305506086E-03   .499250555342E-03   .532239965345E-03
   .567408733777E-03   .604900764394E-03   .644869453427E-03   .687478314448E-03   .732901644181E-03
   .781325231931E-03   .832947115462E-03   .887978386315E-03   .946644047793E-03   .100918392899E-02
   .107585365849E-02   .114692570159E-02   .122269046511E-02   .130345747413E-02   .138955662526E-02
   .148133952139E-02   .157918089300E-02   .168348011159E-02   .179466280119E-02   .191318255387E-02
   .203952275611E-02   .217419853284E-02   .231775881644E-02   .247078854874E-02   .263391102401E-02
   .280779038181E-02   .299313425896E-02   .319069661014E-02   .340128070773E-02   .362574233140E-02
   .386499315908E-02   .412000437119E-02   .439181048093E-02   .468151340366E-02   .499028677951E-02
   .531938056376E-02   .567012590008E-02   .604394029290E-02   .644233309519E-02   .686691132922E-02
   .731938585814E-02   .780157792698E-02   .831542609246E-02   .886299356117E-02   .944647595673E-02
   .100682095365E-01   .107306798791E-01   .114365310642E-01   .121885753659E-01   .129898034814E-01
   .138433953166E-01   .147527313479E-01   .157214045830E-01   .167532331366E-01   .178522734413E-01
   .190228341077E-01   .202694904477E-01   .215970996717E-01   .230108167655E-01   .245161110510E-01
   .261187834253E-01   .278249842710E-01   .296412320197E-01   .315744323432E-01   .336318979367E-01
   .358213688444E-01   .381510332672E-01   .406295487722E-01   .432660638073E-01   .460702394023E-01
   .490522709130E-01   .522229096357E-01   .555934840907E-01   .591759207332E-01   .629827638118E-01
   .670271940485E-01   .713230457611E-01   .758848219909E-01   .807277071372E-01   .858675765219E-01
   .913210022355E-01   .971052545202E-01   .103238297856E+00   .109738780808E+00   .116626018567E+00
   .123919967025E+00   .131641187044E+00   .139810797483E+00   .148450415362E+00   .157582081422E+00
   .167228169129E+00   .177411275073E+00   .188154088481E+00   .199479237473E+00   .211409109499E+00
   .223965643295E+00   .237170089603E+00   .251042737822E+00   .265602605784E+00   .280867089905E+00
   .296851573107E+00   .313568988194E+00   .331029334775E+00   .349239148393E+00   .368200921309E+00
   .387912475432E+00   .408366289161E+00   .429548781600E+00   .451439559571E+00   .474010635347E+00
   .497225625895E+00   .521038947873E+00   .545395026559E+00   .570227541389E+00   .595458735794E+00
   .620998824523E+00   .646745537472E+00   .672583845076E+00   .698385916287E+00   .724011365684E+00
   .749307850846E+00   .774112084099E+00   .798251323299E+00   .821545403372E+00   .843809362604E+00
   .864856703695E+00   .884503307608E+00   .902571986389E+00   .918897617394E+00   .933332743909E+00
   .945753454235E+00   .956065262074E+00   .964208605323E+00   .970163460013E+00   .973952434941E+00
   .975641577861E+00   .975337997314E+00   .973183302052E+00   .969341805567E+00   .963982466511E+00
   .957253674228E+00   .949250286078E+00   .939967137898E+00
 ae wavefunction
   .345880269803E-07   .368147396271E-07   .391630877573E-07   .416408806975E-07   .442563796648E-07
   .470183275065E-07   .499359803346E-07   .530191411165E-07   .562781953533E-07   .597241489837E-07
   .633686686638E-07   .672241245792E-07   .713036359587E-07   .756211194698E-07   .801913406860E-07
   .850299688307E-07   .901536350141E-07   .955799941953E-07   .101327791116E-06   .107416930467E-06
   .113868551572E-06   .120705107882E-06   .127950451600E-06   .135629923775E-06   .143770450234E-06
   .152400643718E-06   .161550912651E-06   .171253576971E-06   .181542991487E-06   .192455677263E-06
   .204030461550E-06   .216308626838E-06   .229334069623E-06   .243153469531E-06   .257816469471E-06
   .273375867567E-06   .289887821608E-06   .307412066875E-06   .326012148197E-06   .345755667189E-06
   .366714545666E-06   .388965306283E-06   .412589371555E-06   .437673382450E-06   .464309537843E-06
   .492595956204E-06   .522637060981E-06   .554543991229E-06   .588435039152E-06   .624436116314E-06
   .662681250411E-06   .703313114606E-06   .746483591562E-06   .792354374454E-06   .841097607392E-06
   .892896567826E-06   .947946393699E-06   .100645485829E-05   .106864319584E-05   .113474698138E-05
   .120501706815E-05   .127972058660E-05   .135914200881E-05   .144358428278E-05   .153337004103E-05
   .162884288848E-05   .173036877475E-05   .183833745647E-05   .195316405540E-05   .207529071870E-05
   .220518838808E-05   .234335868479E-05   .249033591827E-05   .264668922633E-05   .281302485559E-05
   .298998859133E-05   .317826834648E-05   .337859692020E-05   .359175493710E-05   .381857397892E-05
   .405993992120E-05   .431679648841E-05   .459014904167E-05   .488106861436E-05   .519069621170E-05
   .552024739158E-05   .587101714484E-05   .624438509476E-05   .664182103620E-05   .706489083686E-05
   .751526272388E-05   .799471398120E-05   .850513808399E-05   .904855229890E-05   .962710578015E-05
   .102430881938E-04   .108989389041E-04   .115972567594E-04   .123408105145E-04   .131325499332E-04
   .139756176126E-04   .148733615779E-04   .158293486960E-04   .168473789614E-04   .179315007108E-04
   .190860268264E-04   .203155519905E-04   .216249710612E-04   .230194986388E-04   .245046899018E-04
   .260864627920E-04   .277711216371E-04   .295653823016E-04   .314763989640E-04   .335117926256E-04
   .356796814598E-04   .379887131204E-04   .404480991341E-04   .430676515087E-04   .458578216993E-04
   .488297420813E-04   .519952700901E-04   .553670351951E-04   .589584888889E-04   .627839578816E-04
   .668587007013E-04   .711989679173E-04   .758220662119E-04   .807464265434E-04   .859916766568E-04
   .915787182129E-04   .975298088258E-04   .103868649313E-03   .110620476484E-03   .117812161806E-03
   .125472316323E-03   .133631402195E-03   .142321851285E-03   .151578191213E-03   .161437179343E-03
   .171937945185E-03   .183122141720E-03   .195034106204E-03   .207721031012E-03   .221233145136E-03
   .235623906972E-03   .250950209091E-03   .267272595685E-03   .284655493464E-03   .303167456795E-03
   .322881427931E-03   .343875013202E-03   .366230776132E-03   .390036548445E-03   .415385760012E-03
   .442377788834E-03   .471118332212E-03   .501719800316E-03   .534301733429E-03   .568991244209E-03
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 End of Dataset
