[Pw_forum] Pseudopotential for Ni

[Giuseppe Mattioli]

Dear Ahmad
You can either generate the US rrkj pseudopotential with ld1.x and the pslibrary input
http://www.qe-forge.org/gf/project/pslibrary
or generate yourself and test the pseudopotential with the Vanderbilt's code (you may start by modifying the PBE pseudopotential which comes with the 
library)
http://www.physics.rutgers.edu/~dhv/uspp/
HTH
Giuseppe

On Thursday, May 28, 2015 12:12:36 PM Ahmad.Ziaee wrote:
> Hi All,
> I want the ultrasoft Vanderbilt pseudopotential for Ni atom with PW91 XC functional. I searched the list on the Quantum espresso but it is not
> available there. How can I get it? Also, I searched the Vanderbilt pseudopotential website but there was not available there as well. Can anyone
> provide it for me or how can I set it up myself?
> 
> Best regards and thanks,
> Ahmad
> Postgraduate Researcher
> Materials and Surface Science Institute(MSSI)
> University of Limerick
> Limerick
> Ireland
> [ATT00001]

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   Giuseppe Mattioli                            
   CNR - ISTITUTO DI STRUTTURA DELLA MATERIA   
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