[Pw_forum] (no subject)

[Ranber Thakur]

thanks Paolo. it works.

On Tue, Jun 26, 2012 at 4:08 AM, Paolo Giannozzi <giannozz at democritos.it>wrote:

>
> On Jun 25, 2012, at 17:43 , Ranber Thakur wrote:
>
> > Does anybody know about ¨from calbec : error #   1  size mismatch¨
>
> it's an error I have fixed many times, but it shows up again all the
> time.
> Not a big deal, actually, since it shows up only if you have no nonlocal
> pseudopotentials. V.5.0? in line 97 of file PW/src/allocate_nlpot.f90,
> remove "if ( nkb > 0 )"
>
> P.
>
> >
> > I tried to use coulomb potential for H. I simply run for bond
> > length optimization of H2 molecule.
> > But it stops with the above error message after finishng the scf run.
> >
> > Thanks in advance
> > Ranber
> > _______________________________________________
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> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
>
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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