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Re: [abinit-forum] Re: Phonon DOS calculations for Bi2Te3


Chronological Thread 
  • 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



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