a word file to transmit a QE input? oh my goodness! SB On Oct 21, 2011, at 8:09 PM, bhabya sahoo wrote:
> i have used the espresso file which is given > i want to convergence it but it is not converging > after many itteration > also i have incresed nstep and eletron step to high nothing results > > > the input file is the input file for uspex code > where kpoints and positions are written by itself > > > > the eroor is that > force convergence is not achived > > > the file is given > > > > > > > > > > > b d sahoo > reserch scholar > > <bds.docx>_______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111021/34933499/attachment.htm
