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Spin Polarisation

Posted: Tue Apr 25, 2006 9:48 pm
by hu007
Hi everyone,

I have a question about the ISPIN flag. Should I set ISPIN=2 as long as spin multiplicity is NOT equal to 1.

Any suggestions are welcomed! Thanks.

Spin Polarisation

Posted: Wed Apr 26, 2006 10:33 am
by admin
if N(up) is not equal to N(down), yes.