[Pw_forum] Ni pseudopotential

Peng Chen pchen at ion.chem.utk.edu
Sun Jan 13 17:14:43 CET 2013


Dear Fang,

Thanks for your reply. I tried to generate by myself, and it didn't go very
well. I am still trying and I would like to try some already tested PPs.

On Sun, Jan 13, 2013 at 2:18 AM, Yue-Wen Fang <yuewen.fang at gmail.com> wrote:

> I think you'd better generate a pp by yourself using vanderbilt method
>
>
> 2013/1/11 Peng Chen <pchen at ion.chem.utk.edu>
>
>> Thanks Gil Rebaza, I checked pslibrary, there is no PP with Vanderbilt
>> method.
>>
>>
>> On Thu, Jan 10, 2013 at 7:49 PM, Arles V. Gil Rebaza <arvifis at gmail.com>wrote:
>>
>>> Hi Peng, may be this website can help you.
>>> Best
>>>
>>> http://theossrv1.epfl.ch/index.php?n=Main.Links
>>>
>>> PhD. Arles V. Gil Rebaza
>>> IFLP - Argentina
>>>
>>> 2013/1/10 Peng Chen <pchen at ion.chem.utk.edu>
>>>
>>>>  Dear All,
>>>>
>>>> I would appreciate it if  anyone can share the Ni PBE pseudopotential
>>>> (with configuration  3d94s1) created by Vanderbilt method? I used
>>>> Ni.pbe-nd-rrkjus.UPF and V.pbe-n-van.UPF from Quantum Espresso website. The
>>>> first one is created by rrkjus method and the second is from Vanderbilt
>>>> method. I am trying to use pseudopotentials made by the same method. Thanks
>>>> in advance for the help.
>>>>
>>>> --
>>>>   Best Regards.
>>>>         Peng
>>>>
>>>> _______________________________________________
>>>> Pw_forum mailing list
>>>> Pw_forum at pwscf.org
>>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>>
>>>
>>>
>>>
>>> --
>>> ###--------->   Arles V.   <---------###
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>
>>
>>
>>
>> --
>>   Best Regards.
>>         Peng
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
>
> --
>
> ------------------------------------------------------------------------------------------------------------
> Yue-Wen FANG, PhD candidate
> Key Laboratory of Polar Materials and Devices, Ministry of Education<http://clpm.ecnu.edu.cn/>
> East China Normal University <http://www.ecnu.edu.cn/english/>
> Phone: +86-18321726131
> I will persist until I succeed!
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
  Best Regards.
        Peng
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130113/4633e1fa/attachment.html>


More information about the users mailing list