[Pw_forum] pseudopotential for Sodium

[Stefano de Gironcoli]

Dear Ananya.

If I remember correctly, in the ps-library distribution 
<http://www.qe-forge.org/gf/project/pslibrary/frs/>
there is a Na US pseudopotential with s and p semicore states

you can modify the input to make it NC (the US generation is actually a 
2-step process in which the NC version is generated first).

It's probably going to be a hard pseudo.

HTH

stefano

PS: please don't forget to include your affiliation in your posts. thanks

-
Stefano de Gironcoli
SISSA and DEMOCRITOS

On 08/28/2012 08:03 AM, Yue-Wen Fang wrote:
> May be you can generate the pp  using ld1.x and test it by yourself. But it
> not very simple
>
> Y.-W. Fang
>
>
> 2012/8/28 Ananya Mondal <ananyamondol3 at gmail.com>
>
>> Including s and p semicore states in valence.
>>
>> On 8/27/12, Ananya mondal <ananyamondol3 at gmail.com> wrote:
>>> Dear quantum-espresso users,
>>> I'm looking for a PBE type Norm-conserving Troullier Martins
>>> pseudopotential  pseudopotential for Sodium.
>>> Thanks
>>> Ananya
>>>
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