[Pw_forum] Phonon under pressure
subhopcqc at gmail.com
Tue Dec 20 07:20:31 CET 2016
Thanks for your reply.
Can you give me a brief guide about how to resolve the issue of negative
frequency when an optimized (with as low convergence threshold as possible;
lower than that leading to convergence failure) geometry at a certain
target pressure give negative frequency in phonon calculation.
Senior Research Fellow
Department of Chemistry
University of Calcutta
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