Spin Polarisation
Posted: Tue Apr 25, 2006 9:48 pm
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.
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.