nicheal's repositories
00_workSpace
my script
charged-defects
charged defect analysis
clusterscripts
shell, python, and fortran scripts that I use on nersc and lbl clusters
dft-course
Course repository for 06-640 - Molecular simulation
dichalcogenides
Python analysis code for dichalcogenide systems.
fireworks-vasp
Vasp plugin for fireworks utilizing Fireworks, Custodian and Pymatgen for running High-throughput VASP calculations
MacroDensity
Analyse VASP density & potential grids using python
pyxaid-code
The main branch of the Pyxaid code
quantum-espresso
Personal fork of [Quantum Espresso](http://www.quantum-espresso.org/)
rutile-OER
Supporting information data files for manuscript "A linear response, DFT+U study of trends in the oxygen evolution activity of transition metal rutile dioxides" by Zhongnan Xu, Jan Rossmeisl, John R. Kitchin
Self-Consistent-Quasiharmonic-Approximation-Method
An efficient ab-initio quasiharmonic method for thermodynamic properties of solids
TestOnlinExam
django在线考试系统
twod_materials
High throughput workflow tools for characterizing 2D materials in VASP.
workshop-2016
Assets for the Materials Project workshop in Aug 2016