Command Line Tool for quantum chemistry simulation package

ORCA .out, GPAW .txt parser

Utility scripts and programs for VASP calculations

Computational Materials Science Tool Kit

scripts for simplifiing the usual work with results of VASP calculations

Post-processing scripts for VASP output files, with focus on gnuplot formats

Code for calculating elastic modulus with VASP

The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical conductivities, and electronic thermal conductivities) by using (1) the momentum matrix method (Method 1) or (2) derivative method same as adopted in BoltzTrap (Method 2).

A dhall package for vasp configuration

Creating shelx file "a.ins" from XDATCAR and old.res (optional)

VASP input files required to conduct ab initio MD simulation of a short polyurethane chain.

A c++ library for reading and manipulating WAVECAR files from VASP

Atomic Structure Handler - a flexible java tool for building, manipulating and visualising atomic systems.

Bi4I4 Thermal Conductivity

Band path generator.

tool to post process the files of vasp code to get density of states and atom projected density of states

Python scripts used for 2D and 3D materials' Young's Modulus plotting