Chengcheng-Xiao/VASP_DF2-C09

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Rank 1,930,869 (Top 39 %)
Language Gnuplot
Created almost 4 years ago
Updated almost 4 years ago

Chengcheng-Xiao/VASP_DF2-C09

Chengcheng-Xiao

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This repo adds vdW-DF2-C09 exchange correlation functional to VASP

VASP2WAN90_v2_fix

An updated version of the VASP2WANNIER90v2 interface

VASP_OPT_AXIS

Fix lattice component(s) during relaxation in VASP

mpiPyMC

A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.

Tools

DFT post processing tools

WOBSTER

Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction

VASP_LOL

VASP - Localized Orbital Locator + Electron Localizability Indicator

TB_play

A play ground for PythTb, Kwant, Pybinding and Wannier90 👾, and MORE

VASP_BOND_FIX

Fixing bond length in relaxation process for VASP

wanSOC

Add on-site SOC to Wannier Hamiltonian.

WOOPs

A tool to calculate Wannier Orbital Overlap Population (WOOP).

wanPB

Converting Wannier90's Hamiltonian to pybinding compatible format.

DFT_vim_syntax

My vim syntax hightlight for DFT packages

Chengcheng-Xiao.github.io

SSAdNDP

WanOCC

Wannier occupation matrix

PTCL

Periodic Table - Command Line version

Chengcheng-Xiao