[Pw_forum] error in optic properties

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Fri Aug 8 14:48:35 CEST 2014


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
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