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Re: [abinit-forum] phonon calculation of a molecule


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  • From: jean-francois.chabot@umontreal.ca
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] phonon calculation of a molecule
  • Date: Tue, 8 Apr 2003 17:42:22 +0200

Dear Masatoshi,

thanx a lot for the reference you gave me. I found what going wrong
with my code, and it is because i dont include the electric field
perturbation
in my DDB file and the ifc program seem to not works correctly it.

Have a good day
Jean-Francois

On Sat, 5 Apr 2003, Masayoshi Mikami wrote:

> Hello,
>
> It might be a good idea to describe your case more specifically.
> Understanding which part of your input led to fail would be useful
> for readers.(Which kinds of fail was produced by which input ?)
>
> In any case, to know possible hazards for RF calculation
> for molecular systems, you might want to read the following e-mails:
> http://www.abinit.org/wws/arc/forum/2002-09/msg00024.html
> http://www.abinit.org/wws/arc/forum/2002-12/msg00018.html
>
> Best wishes,
> Masayoshi


  • Re: [abinit-forum] phonon calculation of a molecule, jean-francois . chabot, 04/08/2003

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