[CP2K-user] merging cube filed for the aimd simulation

Raitis raitis... at gmail.com
Mon Nov 25 08:58:56 UTC 2019


Dear all,

I am trying to compute Raman spectra for my system by following this 
tutorial: https://brehm-research.de/files/spec_tutorial_2018.pdf

At the electron density data calculation step I messed up and got cube 
files for each frame separately (I believe it is because I forgot to put 
"=" in front of results.cube).
Is there a way to merge all the cube files of md simulation in one?

Raitis
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