[Pw_forum] Warning in PW.x run

[Gabriele Sclauzero]

Dear Mayank,

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?


GS

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.
> 
> 
> Thanks
> -- 
> Mayank
> BARC
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§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne

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