frequency calculations for non-orhorhombic in TRAVIS

M. Brehm brehmin... at
Tue Jul 1 20:53:55 UTC 2014


we are currently implementing support for non-orthorhombic simulation cells 
in TRAVIS. It will be available in the next public release (probably in 1-2 
weeks). If we find some additional time, we will also include support for 
calculating Raman spectra from non-orthorhombic cells until then.

Best regards,
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