[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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> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum


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