[Ifeffit] about WebAoms

[Ravel, Bruce]

On 11/20/19 7:49 PM, Park Gyuchul wrote:
> I appreciate for your precious comments. Your suggestion makes my life 
> easier!  Is "distance" column is not required information in feff.inp 
> format? (please find the part of the feff file attached. This is what I 
> got from WebAtoms (typical cif file is used here).


Quoting from 
https://bruceravel.github.io/demeter/documents/Artemis/atoms/example.html#the-feff-input-file

"The atom list is printed in the format required by FEFF. The atom list 
has two comment columns. The indexed atomic symbol and radial distance 
are written by ATOMS for your use when reading feff.inp and are ignored 
by FEFF."


-- 
  Bruce Ravel  ------------------------------------ bravel at bnl.gov

  National Institute of Standards and Technology
  Synchrotron Science Group at NSLS-II
  Lead Beamline Scientist, 6BM (BMM)
  Building 743, Room 114
  Upton NY, 11973

  Homepage:    http://bruceravel.github.io/home/
  Beamline:    https://www.bnl.gov/ps/beamlines/beamline.php?r=6-BM
  Software:    https://github.com/bruceravel
  Demeter:     http://bruceravel.github.io/demeter/