[Pw_forum] GIPAW potential for C and N

[Jones Tsz-Kai Wan]

Dear Ari,

Thanks for the information. Regarding this, I want to generate NC
GIPAW potential myself, but I can't see any example/doc in the
atomic_doc directory. Do you (all any user) know how I can generate
GIPAW PP using the atomic code?

Regards,

Jones


On Fri, Nov 20, 2009 at 5:16 PM, Ari P Seitsonen <Ari.P.Seitsonen at iki.fi> wrote:
>
> Dear Gregor and Jones Wan,
>
>   This is indeed the case: Currently the GIPAW code is implemented only
> for norm-conserving pseudo potentials. The extension to
> ultra-soft/Vanderbilt pp's is planned but not yet performed.
>
>     Greetings,
>
>        apsi
>
> -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
>   Ari P Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
>   Physikalisch-Chemisches Institut der Universitaet Zuerich
>   Tel: +41 44 63 54 497  /  Mobile: +41 79 71 90 935
>
> On Fri, 20 Nov 2009, Gregor Mali wrote:
>
>> Dear Jones,
>>
>> as far as I know, GIPAW module within Quantum Espresso currently works
>> only with norm-conserving pseudopotentials.
>>
>> Best regards.
>>
>> Gregor Mali
>>
>> National Institute of Chemistry
>> Ljubljana
>>
>>
>>> -----Original Message-----
>>> From: pw_forum-bounces at pwscf.org
>>> [mailto:pw_forum-bounces at pwscf.org] On Behalf Of Jones Tsz-Kai Wan
>>> Sent: 20. november 2009 4:35
>>> To: PWSCF Forum
>>> Subject: [Pw_forum] GIPAW potential for C and N
>>>
>>> Dear pwscf/gipaw users
>>>
>>> I'm trying to calculate the magnetic response of nitrogen
>>> vacancy in diamond. The PPs available at the GIPAW page
>>> "http://www-int.impmc.upmc.fr/~software/gipaw/index.html" are
>>> norn-conserving but I require ultrasoft PPs. I'm trying to
>>> generate US GIPAW potential myself but there is no GIPAW
>>> example under the "atomic_doc" library. Can anyone send me
>>> his/her GIPAW PP input (preferably of C and N, of course) so
>>> that I can generate it myself?
>>>
>>> Regards,
>>>
>>> Jones Wan
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