郑奇靖 's repositories
VaspBandUnfolding
A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
Hefei-NAMD
ab-initio nonadiabatic molecular dynamics program
VaspVib2XSF
Visualize vibrational modes from VASP calculations
VaspPoscarMayavi
Use 3D visualization software Mayavi to visualize VASP POSCAR file.
VASP_XDATCAR
A python class for parsing VASP XDATCAR from molecular dynamics
numerov_schrod1d
Matrix numerov method for solving 1D Schrodinger equation.
UsefulPythonSnippet
Some useful python scrippets
introduction_to_imaginary-time_path_integrals
Self-made notes about imaginary time path-integral MD
QijingZheng.github.io
Personal Website
VASP_PROCAR
A python class for VASP PROCAR file
ipi_vasp_driver
VASP interface for i-pi