Thank you all for your responses.
Best, Amir M. Mofrad Graduate Research Assistant Chemical Engineering Department University of Missouri ________________________________ From: [email protected] <[email protected]> on behalf of Tone Kokalj <[email protected]> Sent: Monday, July 11, 2016 3:16:22 AM To: [email protected] Subject: Re: [Pw_forum] Visualizing Quantum Espresso On Tue, 2016-07-05 at 20:58 +0000, Mofrad, Amir Mehdi (MU-Student) wrote: > Dear all Quantum Espresso users and developers, > > I am aware that Xcrysden is a tool for visualizing the input and > output files of QE. However, I was wondering if this tool has a > feature to show vibrational modes of a molecule or a crystal. The program dynmat.x generates the XSF file with all vibrational modes. These are stored as "forces" in the XSF file, which means that in xcrysden you can see them via "Display-->Forces" menu. The vibrational modes will be then displayed one at a time with "arrows". For the description of the dynmat.x program and its input, see the beginning of PHonon/PH/dynmat.f90 source file. Best regards, Tone Kokalj -- J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel: +386-1-477-3523 // fax: +386-1-251-9385) _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
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