[Pw_forum] LO-TO split with the ultrasoft pseudopotential
xhongjun
xhongjun at mail.ustc.edu.cn
Thu Mar 13 15:22:17 CET 2003
Eyvaz Isaev wrote:
> 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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>
>
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Dear Eyvaz Isaev:
Thanks for reply.
Unfortunately the FHI pseudopotentials for most elelments
are not available on
http://ftp.abinit.org/ABINIT/Psps/LDA_FHI/fhi.html.
How can I transform the Troullier-Martin pseudopotentials
on http://www.abinit.org/ABINIT/Psps/LDA_TM/lda.html
to pwscf format?
Best regards.
xianghjun
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