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 > > _______________________________________________ > > Pw_forum mailing list > > 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 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120626/6b379a3b/attachment.htm
