[Wien] Answer to "inconsistency b/w projected DOSs and bandstructure"
katrusiat
katrusiat at yandex.ru
Fri Oct 5 09:49:41 CEST 2007
Just in case that someone gets interested in the problem, I am answering to my own question.
My mistake was that I run "x lapw1 -band" with the local rotation matrix already changed in .struct file. One should run "x lapw1 -band" with the normal .struct file, then change the LRM in it, and then run "x lapw2 -qtl -band".
Regards,
Kateryna Foyevtsova
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