[Pw_forum] LDA Ultrasoft pseudopotential for Mg

[stewart at cnf.cornell.edu]

Hi Eyvaz, 

That would be a great help!  I look forward to trying it out. 

Thanks, 

Derek 


Eyvaz Isaev writes: 

> Hi Derek, 
> 
> I can try generate it. My US GGA pseudopotential for
> Mg works quite well. It will take few days, hopefully, 
> 
> including tests. 
> 
> Bests,
> Eyvaz.  
> 
> --- stewart at cnf.cornell.edu wrote: 
> 
>> Hi all,  
>> 
>> I was wondering if anyone had a reliable ultrasoft
>> pseudopotential for Mg in 
>> the local density approximation.  The periodic table
>> on the PWscf site has 
>> only norm-conserving and a GGA ultrasoft.  
>> 
>> Thanks,  
>> 
>> Derek  
>> 
>> 
>> ################################
>> Derek Stewart, Ph. D.
>> Scientific Computation Associate
>> 250 Duffield Hall
>> Cornell Nanoscale Facility (CNF)
>> Ithaca, NY 14853
>> stewart (at) cnf.cornell.edu
>> (607) 255-2856
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>> Pw_forum mailing list
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>> 
>  
> 
> 
>        
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################################
Derek Stewart, Ph. D.
Scientific Computation Associate
250 Duffield Hall
Cornell Nanoscale Facility (CNF)
Ithaca, NY 14853
stewart (at) cnf.cornell.edu
(607) 255-2856