[Ifeffit] Larch and calculation of theoretical EXAFS via cif -files

Mangold, Stefan (IPS) stefan.mangold at kit.edu
Wed Aug 9 09:51:17 CDT 2023


Dear all,

i have some cif files, which doesn’t work on larch. One example is KBi2, which works well on Artmenis with feff6. The same file (and also the cifs found in the database) won't work on larch (not with feff 6 nor feff8). There is no error message displayed -> just, that feff is started. 

########
###
# Run Feff in folder: /Users/Name/.larch/feff/Bi1_L3_Bismuth_potassium__2_1__cif200012_13
###
#######   

no result even after hours. 

Any ideas?

Best regards

Stefan





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