[Pw_forum] GIPAW potential for C and N

Jones Tsz-Kai Wan jwan at phy.cuhk.edu.hk
Fri Nov 20 04:34:59 CET 2009


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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