huaguiyuan Goto Github PK

vasp-2

A collection of scripts to interpret/organize VASP output files

vasp-elastic

Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities

vasp-matlab

Scripts for creating, reading, visualizing, analyzing data, etc for files for DFT calculations using VASP.

vasp-plot-modes

Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP

vasp-pv

A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation

vasp-surface-builder

Building surface slabs for VASP

vasp-tools

A collection of routines for dealing with VASP input/output

vasp2wan90_v2_fix

Fixing VASP2WANNIER90v2 interface

vasp_band_plot

python script for band plot

vasp_dft-0.5

General tools for applying the half ionization corrections on VASP

vasp_examples

vasp_stm_simulation

vasp_tdm

Transition Dipole Moments from VASP WAVECAR

vasp_thermo

vasp_unfold

vaspbands

vaspbandunfolding

a python class for dealing with VASP WAVECAR.

vaspirin

Post-processing files for VASP made by GMSN

vaspreader

Fundamental interface for manipulating "VASP format POSCAR file" by Ruby program.

vaspsol

Solvation model for the plane wave DFT code VASP http://vaspsol.mse.ufl.edu/

vasputil

Command-line utilities and Python libraries designed to make life with VASP easier

vaspwfc

create wavefunction file from selected spin, kpoint and band index in VASP wavecar

vaspy

Manipulating VASP files with Python.

vbmcharacter

Program to see the contribution of each orbital of each atom for an specific k-point, from VASP results

vo2percolation

VO2 percolation model Monte Carlo

wannband

Band structure from wannier90 outputs

wannchi

Calculates susceptibility using wannier functions

wanndos

DOS & PDOS from wannier90 outputs

wannhall

Calculates Hall conductivity using wannier interpolation

wannier90_utilities

This repository contains a set of Python scripts that work as utilities to the "wannier90" open-source code