[DFTB-Plus-User] DFTB+ installation

Bernard Ramos ramosbernard81 at yahoo.com
Mon Aug 12 21:50:31 CEST 2019


    On Monday, August 12, 2019, 6:56:26 PM GMT+8, Bálint Aradi <aradi at uni-bremen.de> wrote:  
 Dear Bernard,

where did you install the DFTB+ code. Did you specify any installation
PATH in make.config? If not, the code has been installed into the
_install/bin folder within the source tree. In order to access it,
specify the full path. Assuming, your DFTB+ source is in ~/dftbplus,
run ~/dftbplus/_install/bin/dftb+.

Alternatively, copy the dftb+ binary from the _install/bin folder into
one, which is searched for executables (e.g. ~/bin). Then, you should be
able to run it without having to specify the full path.

  Best regards,


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

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