[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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>>Pw_forum at pwscf.org
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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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