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vasp-1

Python program to evaluate off-resonance Raman activity using VASP code as the backend.

vasp-workshop-chester-2019

Slides and examples for the 2019 VASP Workshop held in Chester, UK

vasp2wan90_v2_fix

An updated version of the VASP2WANNIER90v2 interface

vaspbandunfolding

A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.

vaspbaum

BAnd Unfolding Machinery for VASP (VASP-BAUM)

vaspberry

Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code

vaspgibbs

A simple way to calculate Gibbs free energy from Vasp calculations

vasppy

A Python suite for manipulating VASP input and output

vasprocar-python-tools-for-dft-calculations

Python 3 code for extracting information and results from the following VASP output files (CONTCAR, KPOINTS, OUTCAR, PROCAR, DOSCAR, LOCPOT, PARCHG and vasprun.xml).

vasprocar-python-tools-vasp

Python 3 code for extracting information and results from the following VASP output files (CONTCAR, KPOINTS, OUTCAR, PROCAR, DOSCAR, LOCPOT, PARCHG and vasprun.xml). https://doi.org/10.5281/zenodo.6343960

vasprocar-python-tools-vasp-1

vaspsol

Solvation model for the plane wave DFT code VASP.

vaspvib2xsf

Visualize vibrational modes from VASP calculations

vasp_2d_bse_high_throughput_computing

vasp_install

vasp_ldos_map

Methods for interpolating the local density of states (ldos) from a VASP calculation. The ldos is weighted by the tunneling probability from a specified position above the surface, producing results analogous to a scanning tunneling microscopy experiment.

vasp_lol

VASP - Localized Orbital Locator + Electron Localizability Indicator

vasp_scripts

vasp_unfold

vasp_xdatcar

A python class for parsing VASP XDATCAR from molecular dynamics

viamd

Visual Interactive Analysis of Molecular Dynamics

wannier-berri

Advanced tool for Wannier interpolation and integration of k-space integrals

wannier90

Official repository of the Wannier90 code

wannierpy

Python Scripts to handle Wannier90 files

wannier_tools

WannierTools: An open-source software package for novel topological materials. Full documentation:

wobster

Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction

workshop-2017

Assets for the 2017 Materials Project workshop

workshop-july-2022

Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022

wxdragon

xdatcar_toolkit

XDATCAR_toolkit- A tool for convert XDATCAR to PDB