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
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hu007
Spin Polarisation
Last edited by hu007 on Tue Apr 25, 2006 9:48 pm, edited 1 time in total.
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admin
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Spin Polarisation
if N(up) is not equal to N(down), yes.
Last edited by admin on Wed Apr 26, 2006 10:33 am, edited 1 time in total.