[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
>>>>
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>>>>
>>>
>>>
>>>
>>> --
>>> ###---------> Arles V. <---------###
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>>
>>
>>
>> --
>> Best Regards.
>> Peng
>>
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>
>
>
> --
>
> ------------------------------------------------------------------------------------------------------------
> 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!
>
>
>
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--
Best Regards.
Peng
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