diff --git a/README.md b/README.md new file mode 100644 index 0000000..b12a015 --- /dev/null +++ b/README.md @@ -0,0 +1,16 @@ +# Installation + +## Install n2v + + conda create -n dft + conda activate dft + conda install -c psi4 psi4 + pip install ntov + +## Patch n2v + + bash python_n2v.sh + +## Install libxc + + bash install_libxc.sh