another problem  [SOLVED]

Total energy, geometry optimization, DFT+U, spin....

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qingping
Posts: 10
Joined: Mon Jul 06, 2015 7:21 pm

another problem

Post by qingping » Tue Jul 14, 2015 2:14 am

Dear all,
I add spin polarization to Mn atoms, I got
fxphas.F90:161:ERROR
fxphas:
The eigenvector number1 has zero norm

my input file is attached. I use atompaw to produce LDA-PW pseudopotentials

Could you tell me what problem? Thank you.

Best wishes,

Qingping
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AgLiMnO.in
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qingping
Posts: 10
Joined: Mon Jul 06, 2015 7:21 pm

Re: another problem  [SOLVED]

Post by qingping » Wed Jul 15, 2015 2:51 pm

I think I solve the problem. change pseudopotential.
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