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about lDOS usage
Dear Zhongrui,
See for example p. 37 of the feff82 doc,
ldosNN.dat l-projected density of states for the NNth potential index (see the LDOS
card)
The potential index is the ipot in the POTENTIALS card, as
described in Sec. 2.3
For example, for the Cu test case:
POTENTIALS
0 29 Cu
1 29 Cu
NN=0 is the absorbing atom
NN=1 is the potential of all other atoms.
Sincerely,
John Rehr
----- Forwarded message from zrli@arches.uga.edu -----
>From zrli@arches.uga.edu Mon Oct 7 08:21:02 2002
Hi, Prof. Rehr;
I am writing you to inquire the usage of lDOS card. I am trying to
obtain the angular momentum-projected density of ground and some excited
states with your FEFF code. The FEFF calculation yields two DOS files,
ldos00.dat and ldos02.dat, Could tell me which is for ground states?
what does the NN^th potenital index mean? I much appreciate you kind
help.
Looking forward to your reply.
Best regards,
Sincerely;
Zhongrui
----- End of forwarded message from zrli@arches.uga.edu -----