[Pw_forum] Ni pseudopotential

Yue-Wen Fang yuewen.fang at gmail.com
Sun Jan 13 08:18:30 CET 2013


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
>
> _______________________________________________
> Pw_forum mailing list
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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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