[Pw_forum] LO-TO split with the ultrasoft pseudopotential
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Thu Mar 13 13:42:50 CET 2003
Dear Xianghun,
Norm-conserving pseuodpotential for nitorgen you can
generate using Paolo's code (please look at the
pseudopotential section of the web-site).
Besides you can visit www.abinit.org and get
Troullier-Martin type PsP for a lot of elements. But
in this case you have to convert it using the
FHI2pwscf code. But due to format change I am not
aware about the last. The 1.2.0 version is still not
installed on my computers.
Regards,
Eyvaz.
--- xhongjun <xhongjun at mail.ustc.edu.cn> wrote:
> Dear PWSCF users:
> Can I use PWSCF 1.2.0 calculate the LO-TO split
> with the ultrasoft pseudopotential?
> By the way,where can I find the norm-Conserving
> pseudopotential
> for N ?
>
> sincerely yours
> xianghjun
>
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