AW: [Wien] I want to calculate FeNi with lower symmetry(MAE is too sensitive to the input parameter)(Correction!!)

yasuharu_shiraishi at fujifilm.co.jp yasuharu_shiraishi at fujifilm.co.jp
Thu Dec 1 12:55:51 CET 2005


Dear Pavel Novak,


Sorry, I had a mistake.


I think procedure of my calculation as follows.

init_lapw
runsp_lapw
save_lapw
initso_lapw
runsp_lapw -so

Is it Ok?

And sorry, Cuoud you tell me the meaning of "force theorem" ?
Why should I do so?

Best regards.

Yasuharu Shiraishi




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