[DFTB-Plus-User] DFTB+ installation
Bernard Ramos
ramosbernard81 at yahoo.com
Mon Aug 12 21:50:31 CEST 2019
Thanks.
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,
Bálint
--
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/
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