[DFTB-Plus-User] dftb+ modes calculation and vibrational frequencies
Anshu Gaur
agaur at iitk.ac.in
Fri Jun 15 09:27:25 CEST 2018
Dear all,
Can someone help me with understanding format of vibrations.tag output
file of Modes calculations? Also, is there a specific way of specifying
'PlotModes' for calculating vibrational frquencies for specific modes
(symmetry?)?
Thanks in advance.
Anshu
--
Anshu Gaur
Assistant Professor
Department of Materials Science and Engineering
National Centre for Flexible Electronics (NCFlexE)
Samtel Centre for Display Technologies (SCDT)
Indian Institute of Technology Kanpur
Phone: +91 512 259/769 7600
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