[Pw_forum] multiplicity

Ihsan Erikat ihsanas at yahoo.com
Thu Mar 26 13:36:14 CET 2009


Hi
 I want to make a spin polarization calculations (nspin=2 )for a transition surface (Pt) with molecules  on the surface O2 and CO, how can I set the multiplicity for this system.
best regards 
Ihsan Erikat
Physics department -Jordan university





      
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