[CP2K-user] [CP2K:17556] Generalized vibrational density of states

Dev Rana dev.rana3 at gmail.com
Fri Aug 26 21:45:13 UTC 2022


Does anyone know if CP2K can output generalized vibrational density of 
states for correlating to inelastic neutron scattering spectra? Or how a 
conversion can be made from either DOS or PDOS from CP2K?

This might be a simple or complex question - I'm still fairly new and I am 
not sure.

Thank you,
Devyesh Rana

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