[Wien] lda+u initialization problem
Momar Diakhate
diakhate at physik.uni-kassel.de
Tue Oct 31 15:55:11 CET 2006
Dear wien2k users,
I am doing lda+u calculations for SmS. I manage to do a calculation with six
electrons in the samarium f shell. I was wondering what is the easiest way to
perform a calculation with 5 electrons in the f shell. I already read the
user guide and i looked at the mailing list archive but i haven't found how i
can initialize such calculation.
thank you for your help!
regards, momar,
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Momar Diakhate www.physik.uni-kassel.de
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diakhate(!at!)physik.uni-kassel.de | Theoretische Physik,
| FB 18, Universitaet Kassel
| Heinrich-Plett-Str.40,
| 34132 Kassel, Germany
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