[Pw_forum] GIPAW potential for C and N

Gregor Mali gregor.mali at ki.si
Fri Nov 20 08:02:41 CET 2009

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

> -----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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