[Pw_forum] Fwd: About SOC pesudopotentialsfor W

[刘慧美]

Dear Seitsonen

> Thank you very much for your reply! It really helps a lot! Thank you very
> very much!!!!!!!!!!


2015-01-02 17:22 GMT+08:00 Ari P Seitsonen <Ari.P.Seitsonen at iki.fi>:

>
> Dear <-->, [ Please include your name and affiliation ]
>
>   Did you already look in PSLibrary, also a FAQ:
>
> http://www.quantum-espresso.org/faq/pseudopotentials/#2.1
>
> http://www.quantum-espresso.org/pseudopotentials/pslibrary/
>
> For example with PBE I find
>
> W.rel-pbe-spfn-kjpaw_psl.1.0.0.UPF
> W.rel-pbe-spn-kjpaw_psl.1.0.0.UPF
> W.rel-pbe-spfn-rrkjus_psl.1.0.0.UPF
> W.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
>
>   I did not check if it would include a norm-conserving one too, should
> you be looking for one.
>
>     Greetings from Montrouge,
>
>        apsi
>
> -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=
> -=*=-=*=-=*=-=*=-
>   Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
>   Ecole Normale Supérieure (ENS), Département de Chimie, Paris
>   Mobile (F) : +33 789 37 24 25    (CH) : +41 79 71 90 935
>
>
>
> On Fri, 2 Jan 2015, 刘慧美 wrote:
>
>
>> Dear all:I'd like to perform calculations for W with soc effect, however I
>> can't find the suitable SOC pseudopotential  for W.  Can anybody tell me
>> how
>> to solve this?
>>
>> Thank you very much!
>>
>
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