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
