博文
dftb+
||
comatsci.tar.gz
mkdir ~/bin/comatsci
export PYTHONPATH=$PYTHONPATH:/home/zhou/bin/comatsci//lib/python2.7/site-packages/
python setup.py build
python setup install --prefix="/home/zhou/bin/comatsci"
togen poscar poscar.gen
https://wap.sciencenet.cn/blog-100989-969865.html
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