A single entry point for VaspWorks is vasp_inp.sh. Run vasp_inp.sh and pick a numbered option.
git clone https://github.com/mukesh4iitb/VaspWorks.git
export PATH=$PATH:/path/of/VaspWorks
# run vasp_inp.sh and select numbered option.
vasp_inp.sh
| Symbols/Abbreviation | Meaning |
|---|---|
IN |
input-generation step (ZPE/NEB group) |
l |
loop script — drives/automates the calculation to completion |
p |
post script — post-processes the finished run |