Skip to content

bracerino/VASP_scripts

Repository files navigation

VASP_scripts

Collection of useful bash and python scripts preparing calculations with VASP. Details can be found here: https://implant.fs.cvut.cz/scripts-for-setting-up-vasp-simulations/

Video tutorial for Ecut and Kpoints automatic convergence tests here: https://youtu.be/RLmQ2B5AHPo?si=1W6Fr5Fljni3_yW- I implemented Ecut, k-points, and automatic POTCAR creation also into this GUI interface: https://github.com/bracerino/convergence-vasp-gui.git

Prerequisities:

  • py4vasp
  • VASP with HDF5 support

About

Collection of useful bash and python scripts for preparing calculations with VASP

Topics

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published