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[abinit-forum] Plotting Eigendisplacements using Jmol


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  • From: davidm@vsl.cua.edu
  • To: forum@abinit.org
  • Subject: [abinit-forum] Plotting Eigendisplacements using Jmol
  • Date: Thu, 11 Sep 2008 16:37:01 -0400 (EDT)
  • Importance: Normal

To the ABINIT Forum:

We are using ABINIT to calculate Raman fundamental mode frequencies,
intensities, and atomic displacements for some simple silicates. We
obtained useful results and would like to plot the eigen-displacements
listed in the ANADDB output. We understand that program Jmol can do this,
and downloaded Mac version 11.2.14. On the ABINIT and Jmol web-sites, we
see that Jmol can read output from ABINIT; however, we have not found
anything more specific.

It would be appreciated if someone can direct us to a source of
information that can show us how to convert our ANADDB output into
something that can be read by Jmol.

Thank you,

David McKeown




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