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alamode

Ab initio simulator for thermal transport and lattice anharmonicity

bilibili-helper

B站，哔哩哔哩（Bilibili）自动签到每日自动投币，银瓜子兑换硬币，领取大会员福利，大会员月底给自己充电等。每天轻松获取65经验值。赶快和我一起成为Lv6吧！

book2_beauty-of-data-visualization

Book_2_《可视之美》 | 鸢尾花书：从加减乘除到机器学习；开始上传PDF草稿、Jupyter笔记。文件还会经过至少两轮修改，改动会很大，大家注意下载最新版本。请多提意见，谢谢

carriercapture.jl

Package to compute trap-assisted electron and hole capture in semiconducting compounds

computationalphysics300

computational physics class taught at UNLV (Phys300)

elasticpost

POST code for second order elastic constant

emc

Effective Mass Calculator for Semiconductors

fftool

Tool to build force field input files for molecular simulation.

interface_stability

irvsp

to compute Irreducible Representations of electronic states in Vienna ab-initio Simulation Package (irvsp) -------------------- Please cite arXiv:2002.04032 when you use any code in this repository.

of-4-vasp

Geometry Optimisation and Quadratic fit program for VASP

ssadndp

tools

DFT post processing tools

vasp_df2-c09

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

vasp_lol

VASP - Localized Orbital Locator

vasp_opt_axis

Fix lattice component(s) during relaxation in VASP

vasp_small_script

vaspsol

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

wanocc

Wannier occupation matrix

wobster

Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction