Dear my friends,
Is it necessary to set ISPIN=2 for the slab relaxation jobs with respect to all the transition metals? or it is only important for the magnetic mentals, such as Fe, Co, and Ni?
Best regards,
pqyuan
About the set of ISPIN
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pqyuan
About the set of ISPIN
Last edited by pqyuan on Fri Jun 30, 2006 2:48 am, edited 1 time in total.
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Veronika
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About the set of ISPIN
It is never futile to do a test-calculation if you are not sure.
<span class='smallblacktext'>[ Edited Mon Jul 03 2006, 09:49AM ]</span>
<span class='smallblacktext'>[ Edited Mon Jul 03 2006, 09:49AM ]</span>
Last edited by Veronika on Mon Jul 03, 2006 7:46 am, edited 1 time in total.