Vei Wang's repositories
Fortran-Expression-Evaluator
An open source fortran expression evaluator (parser).
emc
Effective Mass Calculator for Semiconductors
VASP-Utilities
A collection of command line utilities for manipulating VASP input / outpu
syminfo
Utility for symmetry information of crystal structures
DFTfun_A_density_functional_theory_solver
A matlab implementation of density functional theory, for demonstrative purpose
pyband
band plot using python matplotlib
vasp_ldos
Depth-resolved density of states plot for VASP
Global_Optimization
A collection of Global Opitimization Algorithm
Numerical-Methods
Basic numerical methods implemented in FORTRAN
pyDFTutils
A python package of utils for DFT, Tight binding, etc.
Elastic-1
Calculate elastic properties using VASP
pylada-defects
A computational framework to automate point defect calculations
BandGap_Predictor
Band gap Prediction using machine learning techniques
elastic-constants
Scripts to calculate elastic properties from a set of strained structures
Vasp-Helper
Vasp Helper is a collection of tools written in LabVIEW (G, 2010) including Vasp Helper, GB Genie, Defect Buddy, Structure Handler, and more tools.
twod_materials
High throughput workflow tools for characterizing 2D materials in VASP.
Shockley-Queisser-limit
Calculation and visualization tools for theoretical solar cell efficiencies based on the Shockley Queisser limit with options to change temperature, light intensity, and radiative efficiency
numerical-methods-fortran
Solving linear, nonlinear equations, ordinary differential equations, ... using numerical methods in fortran
matplotlib-user-guide-zh
:book: [译] Matplotlib 用户指南
kivy_periodic_table
Kivy App that shows the periodic table and gives element property information for each element on click
graphene
Graphene model screening + tight-binding
FFTPack
FFTPack aims to provide an easily usable package of functions using FFTPack library (Fortran 77).
BZ_plot
Brillouin zone plot
VASP-Examples
A collection of examples for running different types of VASP calculations.
gb
construction of grain boundaries
Sofin-llds
Prebuilt ready-to-use LLVM LLD for both FreeBSD 11 and Darwin 10.11
fnv
Finite size correction of a charged supercell
VASP-1
Python program to evaluate off-resonance Raman activity using VASP code as the backend.
SLMETools
Tools required to calculate the SLME of materials