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5922

m resolved partial DOS

Posted on : November 09, 2010 (Tue) 22:16:57

by Jerzy Goraus

Dear Akai KKR developers and users,
I would like to have m -resolved partial DOS.
I found that the sum over m is calculated in file spmain.f at
line 724.
I have two questions,
- what is the former content of table wkc
- why the sum runs over only 2*(l-1) m values,
supposing the convention is that starts with 1 it still lacks
one value.

sincerely,
Jerzy Goraus