[Pw_forum] Smearing and tot_magnetization
ar_ma86 at libero.it
ar_ma86 at libero.it
Tue Jun 21 19:41:07 CEST 2011
Hi guys,
I'm new with pw and I've got a question. It seems to me that for a spin
polarized calculation the program has errors if I try to impose occupation
equation to smearing and tot_magnetization fixed for a certain value. I guess
that fixing total magnetization the program fixes the occupation numbers of the
bands and so it cannot make a smearing. But is it correct? are the tow options
compatible or not?
Thanks to anyone who's gonna answer.
Hope to enjoy pw :)
Bye
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