[Pw_forum] GIPAW potential for C and N

[Ari P Seitsonen]

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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