[ase-users] ase-users Digest, Vol 31, Issue 1

caleb miles caselim at gmail.com
Wed Jan 5 18:57:48 CET 2011


Hello

You are able to use your own POTCAR files. Edit your .bashrc file to contain
a line similar to

export VASP_PP_PATH=$HOME/nano-scratch/psudopotentials/

where you use the appropriate path to your POTCAR files, contained in
appropriately labeled folders of course.

Caleb
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