dear fataneh you are out of RAM .
for this reason : 1- kinetic-energy cutoff (ecutwfc) is of large value , i suggest 60 0r 70 Ry 2- charge density cutoff (ecutrho) is of large value , i suggest 170 or 200 Ry On 7/25/14, 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 > -- Best wishes Ashkan Shekaari
