[Pw_forum] Generating ultra soft pseudopotential

Duy Le ttduyle at gmail.com
Wed Apr 6 02:35:08 CEST 2011


Some available PP of Cs can be found at
http://charter.cnf.cornell.edu/psplist.php?element=Cs
If you can not find what you need there, you can follow the
instruction (videos and slides) July 25
http://media.quantum-espresso.org/santa_barbara_2009_07/index.php
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"



On Tue, Apr 5, 2011 at 5:42 PM, Tram Bui <trambui at u.boisestate.edu> wrote:
> Dear Folks,
>      I'm trying to build an input file for generating the Cs
> pseudopotential. when I run the ld1.x on my input file. I got an error
> message saying that i'm using the wrong core. would you help me with extra
> information of where I can find the help for how to choose the right core
> for some atoms such as in my case it is Cs.
>
> Thank you very much,
> Tram Bui
>
> M.S. Materials Science & Engineering
> trambui at u.boisestate.edu
>
>
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