i had this kind of error it does gonna help you
try it On 7/30/14, Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr> wrote: > On 07/30/2014 11:07 AM, ashkan shekaari wrote: >> in the files scf.in and nscf.in always use wf_collect=.true. in >> &CONTROL section >> > > Please don't: it is not necessary in this case and will slow the > calculation down and use more memory. > > And please stop giving random advice, I understand your good willingness > but performing a DFT calculation is not like photo retouching, where you > just tweak random parameters until it looks good. > > kind regards. > > -- > Dr. Lorenzo Paulatto > IdR @ IMPMC -- CNRS & Universit? Paris 6 > +33 (0)1 44 275 084 / skype: paulatz > http://www.impmc.upmc.fr/~paulatto/ > 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Best wishes Ashkan Shekaari
