[Pw_forum] Need of Perdew-Zunger exch-corr - US-PPs

[Nicola Marzari]

Dear Vu,

you can find all of them at
http://www.physics.rutgers.edu/~dhv/uspp/

You'll need to compile David Vanderbilt's pseudopotential code
(also available from the same site).

I think espresso still reads the .van format - otherwise, just convert
them to UPF using the converter from the espresso distribution.

Best,

			nicola


vu ongphuong wrote:
> Dear all users
>  
> I am in need of  the Perdew-Zunger (LDA) exch-corr-Vanderbilt ultrasoft 
> pseudopotentials of the following atom: Ti, O, Sr, Ba, Ca, Pb, Zr. 
> Unfortunately, these pseudopotentials  are not available at 
> http://www.pwscf.org/pseudo.htm. I am trying to generate  these 
> pseudopotentials; and I think it must take me time to generate 
> successfully. I will very grateful if someone who have these 
> pseudopotentials give me the copies of them.
>  
> Thank you very much.
>  
>  
> 
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Prof Nicola Marzari   Department of Materials Science and Engineering
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