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Re: [abinit-forum] asking for a pseudopotential about fe


Chronological Thread 
  • From: Xavier Gonze <xavier.gonze@uclouvain.be>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] asking for a pseudopotential about fe
  • Date: Wed, 26 Dec 2007 17:29:44 +0100

Dear Lihong Ni,

If you are simply interested in total energy, forces, stresses, for geometry optimization or molecular
dynamics, you can use the PAW one in http://www.abinit.org/PAW/MAIN/ PAWTable.html .

X.

On 13 Dec 2007, at 14:55, asila wrote:

dear abinit users,
I will be grateful to anyone who can share with a pseudopotential about fe, better with semicore correction.
Thank you very much!


yours, Lihong Ni




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