My Community

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

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>