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- From: Xavier Gonze <xavier.gonze@uclouvain.be>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] Re: Phonon DOS calculations for Bi2Te3
- Date: Fri, 4 Apr 2008 05:33:46 +0200
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Dear Bo Qiu,
On 04 Apr 2008, at 05:21, Bo Qiu wrote:
rfatpol 1 2 # Treat displacements of all atoms
You have 5 atoms, no two.
rfatpol 1 5
should work.
Xavier
- [abinit-forum] Phonon DOS calculations for Bi2Te3, Bo Qiu, 04/04/2008
- [abinit-forum] Re: Phonon DOS calculations for Bi2Te3, Bo Qiu, 04/04/2008
- Re: [abinit-forum] Re: Phonon DOS calculations for Bi2Te3, Xavier Gonze, 04/04/2008
- [abinit-forum] Re: Phonon DOS calculations for Bi2Te3, Bo Qiu, 04/04/2008
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