[Pw_forum] blyp

ashkan shekaari shekaari at gmail.com
Thu Nov 24 17:27:12 CET 2016


Dear Dario,

Thank you so much for your quick response. But how could I generate a blyp
pseudo potential for Mo? There does not exist such a file in QE download
page.

On Nov 24, 2016 7:16 PM, "dario rocca" <roccad at gmail.com> wrote:

> Dear Ashkan
> not necessary but strongly recommended
> Best,
> Dario Rocca
>
> On Thu, Nov 24, 2016 at 2:08 PM, ashkan shekaari <shekaari at gmail.com>
> wrote:
>
>> Dear experts,
>>
>> is it necessary to use blyp pseudopotentials when input_dft is set to
>> blyp?
>> *--*
>> *Regards,*
>> *Ashkan Shekaari*
>> *Plasma Physics Research Center*
>> *Science and Research Branch*
>> *I A U, 14778-93855 Tehran, Iran.*
>>
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>>
>
>
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