print Hessian in vibrational analysis calculation

Ada Sedova ada.a.... at gmail.com
Tue Nov 7 18:27:35 CET 2017


Hi!

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?

Thanks!

AS
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20171107/3a3b2223/attachment.html>


More information about the CP2K-user mailing list