[Pw_forum] QHA(with SOC)

Masoud Avi masoud.avi at gmail.com
Mon Nov 17 20:56:02 CET 2014


Hi
I've calculated the thermodynamic properties,  But in the case of
spin-orbit, column of F_vibration and E_internal are empty and NAN
written, whilst column of spesific heat is calculated.
What caused this?
masoud alavi
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