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direction of displacement


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  • From: hu010@sina.com.cn
  • To: forum@abinit.org
  • Subject: direction of displacement
  • Date: Sat, 21 Jun 2003 07:18:46 +0200

Dear sir,

After I have calculated the phonon of BaTiO3 using ABINIT, I used the ANADDB
to get the eigenvectors .The displacement of all atoms are all along only one
cartesian axis in every mode . In the fifteen modes ,the displacement of the
atoms are respectively along y,z,x,z,y,x,y,z,x,z,x,y,z,x,y axis. I think this
is incorrect.Could you please help me.

Best regards,
hu fenglan


  • direction of displacement, hu010, 06/21/2003

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