Queries about input and output files, running specific calculations, etc.
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farzaneh
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#1
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by farzaneh » Sat Jul 19, 2014 8:06 am
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
Last edited by
farzaneh on Sat Jul 19, 2014 8:06 am, edited 1 time in total.
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admin
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#2
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by admin » Mon Jul 21, 2014 8:04 am
Either decrease the cutoff or use harder potential.
Last edited by
admin on Mon Jul 21, 2014 8:04 am, edited 1 time in total.