[DFTB-Plus-User] waveplot-no cube file procuce
balint.aradi at bccms.uni-bremen.de
Wed Nov 27 08:55:18 CET 2013
> I am trying to make waveplot work for my systems, but I believe I need your help to be able to do so.
> I have the eigenvector.bin and the detailed.xml in the directory where I have copied waveplot_in.hsd.
> My system is a periodic system,it contains 1000 atoms, after computing by the waveplot_in.hsd file,
> I can not get any cube file, and no output file produce either, so I can not get what is the error,
> I hope can get your help to find the error, which can produce the cube files.
> The followings are my input file 'waveplot_in.hsd':
Your input looks at the first glance OK. What do you mean, you do not
get any output? Does the program normally stop without producing cube
files? Or does it just stop due some error occuring?
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
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