Dear Users,
How do I get the reduced mass of a vibrational (phonon) mode from (I
guess) PH.X?
I assume it must be calculated somewhere, but it is not printed. It is
not mentioned in the PH manual (searched for "mass") and it looks like
nobody asked it here (searched for "reduced mass").
Thank you.
Best regards.
dr Andrii Shyichuk, Faculty of Chemistry, University of Wrocław
How do I get the reduced mass of a vibrational (phonon) mode from (I
guess) PH.X?
I assume it must be calculated somewhere, but it is not printed. It is
not mentioned in the PH manual (searched for "mass") and it looks like
nobody asked it here (searched for "reduced mass").
Thank you.
Best regards.
dr Andrii Shyichuk, Faculty of Chemistry, University of Wrocław
dr Andrii Shyichuk
ADIUNKT
Zakład Chemii Nieorganicznej, Wydział Chemii
Uniwersytet Wrocławski
ul. F. Joliot-Curie 14
50-383 Wrocław
tel. +48 71 375 72 65
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