[Pw_forum] error in optic properties
fataneh bostan afroz
fbostanafroz at gmail.com
Tue Aug 5 07:57:10 CEST 2014
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
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