s tit
Cu foil (90K)
q
!Select the plotter amd set up some aliases
gs tab no
gs max on
gs plot ps_file
alias pcp;gs dev p;cp;gs dev t
alias pp;gs dev p;p;gs dev t
!Set the e0 value in order to read the experiment
c e0 8979.66
r ex;culn.bsa;;;;;;;;;;;;;;;;;;
!Read the parmaters - from a seven shell EXAFS refinement
r par;cu.par
s tit
Cu foil (90K)
q
!!Define the symmetry
sym oh
!Select the whole-spectrum option
s atom on
!Allow calculation below the edge
c emin -3
!Select the core wdith (1 ev for experimental resolution)
c cw 2.761
!Include multiple scattering
s ms al
!Calculate potentials and phaseshifts
!!These are defaults - using different options can give better results
ca pot;;;;;;;;;;;;;;;
ca ph;;;;;;;;;;;;;;;;
!Select 5th order correction
c npost 5
!Refine the post-edge polynomial correction parameters,
! plus effective temperature and the E0 correction
ref post
6;offset;7;temp;8;de0
!First step will be very, very slow
c;p;c;=
cp
pause
!Uncomment the next line for hard copy
!pcp
!Turn off the k^2 weighting to see the edge
s we n;ft ftw 2
p
!Uncomment the next line for hard copy
!pp
!Display the atomic-background parameters
l back
