Dear Fataneh, You asked the same question the 29th of July and I already answered you once. Did you read my answer?
Kind regards Lorenzo Paulatto - Paris On 5 Aug 2014 08:10, "fataneh bostan afroz" <fbostanafroz at gmail.com> wrote: > Dear > I want to calculate optic properties of ZnO bulk using quantum > espresso .The papers reported to need many k-points (50* 50 *31) for > calculation optic properties of ZnO bulk .I calculate nscf using 27* > 27*18 k_point and calculate epsilon.x. But chart is not corresponding > of other papers ( using other cods) . > I use 36*36*27 kpoint , but nscf stops on Computing kpt #: 19459 > Pleas guide me > Thank you > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140808/5148e7cc/attachment.html
