Hi,
please do not calculate nscf and after scf calculation do ph.x
On Fri, Sep 30, 2016 at 6:39 AM, Abdullah N. Albarakati <
anbarak...@uqu.edu.sa> wrote:
> Dear experts,
>
> I want to calculate x photons as described below:
>
> first run scf calculation, then a nscf calculation, then a ph.x run
Hi,
please follow attached tutorial.
On Fri, Sep 30, 2016 at 11:21 PM, Abdullah N. Albarakati <
anbarak...@uqu.edu.sa> wrote:
> Dear Mamindla Ramesh,
>
> Thank you for quick response,
> I have did what you recommended, but the problem is still. The attached
> files are input
