[Pw_forum] Warning in PW.x run
sclauzer at sissa.it
Thu May 12 09:17:17 CEST 2011
Does this happen at the beginning or at the end of the SCF loop? How may electrons do you have in your system. Please provide more details.
Have you searched on the forum archives for similar posts?
Il giorno 12/mag/2011, alle ore 06.55, mayank gupta ha scritto:
> Dear All
> I have to post this question again since I didn't get any answer on
> web. In my SCF out file I got warning "negative rho (up, down):
> 0.715E+00 0.000E+00"
> I have also check this wth increase the ecut_rho value but the
> numerical value in the warning message is same. I would like to know
> this is the problem of pseodo potential, It can affect the results
> like phonon frequencies etc.
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> Pw_forum at pwscf.org
§ Gabriele Sclauzero, EPFL SB ITP CSEA
PH H2 462, Station 3, CH-1015 Lausanne
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