[Pw_forum] Spin polarized calculation

nazari at iasbs.ac.ir nazari at iasbs.ac.ir
Mon Sep 6 11:02:04 CEST 2010


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Dear All,
In Vasp there is two options
for doing spin polarized computations : ISPIN=2 which is done without any
restriction. And ISPIN=2 and NUPDOWAN=2 or 4. In the later casse  the spin
polarized caculation is done with imposing restriction on the number of
alpha and beta electrons. I wish two konw what are the equivalent
cases for spin polarized calculation in  PWSCF
?
Regards
Fariba Nazari
IASBS 

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