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PSMAXN

Posted: Sat Jul 19, 2014 8:06 am
by farzaneh
Dear friends,

I have run a one-type two-atomic unit cell of the element Sn with GGA=PS. In the head of the OUTCAR, the following warning is observed:

"WARNING: PSMAXN for non-local potential too small."

What are the cause and consequence of this warning. Any idea?

Best,
Farzaneh

PSMAXN

Posted: Mon Jul 21, 2014 8:04 am
by admin
Either decrease the cutoff or use harder potential.