frequency calculations for non-orhorhombic in TRAVIS
satya
satyanaray... at gmail.com
Mon Jun 30 07:30:17 UTC 2014
Hi all,
I am using travis program to calculate the polarizability. While
running the travis program, it is asking for box sizes along X, Y, Z.
however, I have non-orthorhombic cell which has alpha, beta, gamma. Can
anyone suggest me, how to provide a, b, c, alpha, beta, gamma parameters in
terms of X, Y, Z to travis code. Thanks in advance.
Thank you,
Satyanarayana B
Ph. D. Student,
JNCASR, India.
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