Name: Chengcheng Xiao
Type: User
Company: Imperial College London
Bio: Postdoctoral researcher @ Imperial College London.
Predicting how electrons move since 2016. Currently working on ONETEP.
Twitter: iconxicon
Location: London, United Kingdom
Blog: https://chengcheng-xiao.github.io/
Chengcheng Xiao's Projects
Efficiently computes derivatives of numpy code.
Personal Blog
Codes for preparing/postprocessing CP2K input/output files
My vim syntax hightlight for DFT packages
Some Homebrew formulae.
Convert hosts file to Surge configuration
A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.
MSE404 labs @ Imperial College London, Department of Materials
Occupation matrix control modification VASP
Tutorials for the ONETEP Linear-Scaling DFT Code
p4vasp, the VASP Visualization Tool
Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry
Periodic Table - Command Line version
band plot using python matplotlib
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
Rotation Matrix for Real Spherical Harmonics
The RethinkDNS resolver that deploys to Cloudflare Workers, Deno Deploy, Fastly, and Fly.io
Heavyweight plotting tools for ab initio calculations
A play ground for PythTb, Kwant, Pybinding and Wannier90 š¾, and MORE
DFT post processing tools
Tutorials for the ONETEP Linear-Scaling DFT Code
An updated version of the VASP2WANNIER90v2 interface
Fixing bond length in relaxation process for VASP
This repo adds vdW-DF2-C09 exchange correlation functional to VASP
VASP - Localized Orbital Locator + Electron Localizability Indicator
a python class for dealing with VASP WAVECAR.