[Pw_forum] GIPAW potential for C and N

[Jones Tsz-Kai Wan]

Dear Ljubljana,

Thanks. Then I guess I have to use different sets of PPs to perform
structural relaxation (use US PAW PPs) and magnetic response
calculation (use NG GIPAW PP).

Regards,

Jones

On Fri, Nov 20, 2009 at 3:02 PM, Gregor Mali <gregor.mali at ki.si> 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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