[Pw_forum] pseudopotentials

Chao Cao cao at qtp.ufl.edu
Tue May 26 13:14:06 CEST 2009


We will. But we have to do some extensive tests before doing that. :)  
Thanks for the nice work on PAW by the way.

Best,

Chao Cao
Ph. D.
Quantum Theory Project and Department of Physics
University of Florida
Gainesville, FL 32611
U. S. A.




在 May 26, 2009,4:21 PM, Stefano Baroni 写道:

> Hi! Please, consider using qe-forge for publishing and sharing this  
> kind of data
> Cheers - SB
>
> On May 26, 2009, at 9:59 AM, Chao Cao wrote:
>
>>
>> Our group actually have a set of Lanthanide PAW data, although only  
>> La has been tested. We'll put them on-line once our paper is out.  
>> But I should warn you that none of the elements you requested is  
>> well-tested, so you could either wait for us to test them or you  
>> should do the tests. If you (or anyone else on this forum) need,  
>> please contact us, and we can talk about the details.
>>
>>
>>
>> Best,
>>
>> Chao Cao
>>
>> Ph. D. in Physics
>> Department of Physics and Quantum Theory Project
>> University of Florida
>> Gainesville, FL 32611
>> U. S. A.
>>
>>
>>
>>
>> 在 May 26, 2009,12:32 PM, Sanjeev K. Gupta 写道:
>>
>>> Dear PWSCF Users,
>>>
>>> Please can anyone sent me pseudopotentials for praseodymium,  
>>> Promethium and Samarium.
>>>
>>>
>>> Regards
>>> Sanjeev Gupta
>>>
>>> S. K. Gupta
>>>
>>> PhD Candidate,
>>>
>>> Dept. of Physics,
>>>
>>> Bhavnagar University.
>>>
>>> Bhavnagar, 364 002., Gujarat.
>>>
>>>
>>>
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://www.democritos.it/mailman/listinfo/pw_forum
>>
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>
>
>
> ---
> Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
> Trieste
> http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) /  
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>
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