Pyiron4Vasp

This is a repository for some python codes for setting up VASP calculation with Pyiron

VaspGeneralCalc.py includes a python Class to pre-set some essential VASP input parameters for the general vasp calculations
PyironAdsorptionGener.py includes a python Class to add adsorbates on the fcc (111) surface/hcp (0001) surface

Name		Name	Last commit message	Last commit date
Latest commit History 5 Commits
LICENSE		LICENSE
PyironAdsorptionGener.py		PyironAdsorptionGener.py
README.md		README.md
VaspGeneralCalc.py		VaspGeneralCalc.py

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