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Re: [abinit-forum] How to use the patial-core density of fhi98pp-type pseudopotential


Chronological Thread 
  • From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] How to use the patial-core density of fhi98pp-type pseudopotential
  • Date: Wed, 17 Jan 2007 08:35:38 +0100
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Hi,
Abinit do no distinction between semi-core electrons and others. All
are treated the same wa

On 1/17/07, Chol-Jun Yu <yucj@ghi.rwth-aachen.de> wrote:
Dear Dr. Romero,

thank you for your explanation. Do you mean ABINIT don't use the patial-core
density of the fhipp pseudopotential (element.fhi)? Is not it necessary to
include the partial-core density in fhi file?

Best regards.

On Tuesday, 16. January 2007 23:22, Nichols A. Romero wrote:
> Yu,
>
> It is not necessary to set any extra flags in your abinit input file when a
> partial-core correction is present.
>

Yu Chol Jun
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Pierre-Matthieu Anglade

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