[Pw_forum] I need norm conserving pseudopotetial for Zinc that can work with pwscf

[gbliu]

Hi Adetunji,

     I'm so sorry that I'm not good at generating pesudopotential file.
     I only used fhi2upf once and casually guess some values for 
"Wavefunction # ...:"

good luck.

Liu

于 2011/7/10 22:08, bamidele ibrahim 写道:
> Dear Liu,
>   I have downloaded the .fhi file from abinit pseudopotential site, 
> and i used the command given by you as follows;
>
>    ./fhi2upf.x /home/adetunji/Desktop/30-Zn.LDA.fhi
>
> after the command, here is the result of the process.
> read_fhi: assuming abinit format
> Pseudopotential without NLCC successfully read
> Wavefunction # 1: label, occupancy >
>
> please, what is the next step.
>
>
> Adetunji Bamidele Ibrahim
> Department of physics,University of Agriculture,
> Abeokuta, Ogun State,Nigeria.
>
> --- On *Sat, 7/9/11, gbliu /<goodluck_1982 at 163.com>/* wrote:
>
>
>     From: gbliu <goodluck_1982 at 163.com>
>     Subject: Re: [Pw_forum] I need norm conserving pseudopotetial for
>     Zinc that can work with pwscf
>     To: "PWSCF Forum" <pw_forum at pwscf.org>
>     Date: Saturday, July 9, 2011, 6:32 AM
>
>
>     You can use pp file of ABINIT, then use upftools/fhi2upf.x to
>     covert the .fhi file to .upf file.
>
>     Best wishes,
>     Liu Gui-Bin
>     Dept. Physics, HKU
>
>     于 2011/7/9 6:08, bamidele ibrahim 写道:
>>
>>     Dear all,
>>       I needed to run epsilo.x to get optical properties, but the
>>     pseudopotentials available on the QE page for Zinc has no norm
>>     conserving pseudopotential. So, i will appreciate it if an
>>     assistance can come from anybody from the forum. Also, if there
>>     is a way to make epsilo.x recognised the USPP. Kindly put me through.
>>
>>     Thanks
>>
>>     Adetunji Bamidele Ibrahim
>>     Department of physics,University of Agriculture,
>>     Abeokuta, Ogun State,Nigeria.
>>
>>
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