It's hard to say because any error message that could have been present in the output was not included in nscf.out.
My bet is that you just run out of time, the last k-point that you compute arrives at 28624.6 secs, which is almost exactly 8 hours. kind regards On 07/25/2014 12:58 PM, fataneh bostan afroz 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 -- 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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140730/c24842e1/attachment.html
