[DFTB-Plus-User] dptools.bandout module required

Bálint Aradi aradi at uni-bremen.de
Tue Aug 30 08:43:13 CEST 2016

> Here is what I did. 
> Step 1: I installed dptools using following commands
> tcsch
> setenv PATH ${PATH}:/home/vermad/dptools/bin
> setenv PYTHONPATH /home/vermad/dptools/lib/python2.6/site-packages
> python setup.py install --prefix="/home/vermad/dptools"
> exit         // to exit tcsch

Please note, that the enivornment variable PYTHONPATH must be set not
just during installation (there it is actually not even necessary), but
when you want to run any of the tools. But here, when you exit your
shell, you loose the settings!

Once you have installed the dp_tools package just issue

export PYTHONPATH=/home/vermad/dptools/lib/python2.6/site-packages
(in case you use bash)

setenv PYTHONPATH /home/vermad/dptools/lib/python2.6/site-packages
(in case you use tcsh)

After that, you should be able to run dp_dos & co.

  Best regards,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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