print Hessian in vibrational analysis calculation

Ada Sedova ada.a.... at
Tue Nov 7 17:27:35 UTC 2017


I am running vibrational analysis using cp2k 4.1, currently. It seems from 
the source code that the Hessian can be printed as an ASCII file, at least 
from what I can tell. I tried changing the print settings to debug, but I 
still do not get a Hessian in the output.

Is there anyway to get the Hessian from the vibrational analysis?


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>

More information about the CP2K-user mailing list