QijingZheng/VASP_XDATCAR

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Created over 9 years ago
Updated 2 months ago

QijingZheng/VASP_XDATCAR

QijingZheng

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A python class for parsing VASP XDATCAR from molecular dynamics

VaspBandUnfolding

A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.

pyband

band plot using python matplotlib

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_FermiSurface

VASP_TDM

Transition Dipole Moments from VASP WAVECAR

vaspwfc

create wavefunction file from selected spin, kpoint and band index in VASP wavecar

VASP_STM_SIMULATION

SolidStatePhysicsNotes

pySBT

A python implementation of spherical Bessel transform (SBT) based on algorithm proposed by J. Talman.

phonon_angular_momentum

PyQt_Vasp_STM

numerov_schrod1d

Matrix numerov method for solving 1D Schrodinger equation.

UsefulPythonSnippet

Some useful python scrippets

vasp_band_plot

python script for band plot

pwnac

Calculate NACs from PWSCF wavefunctions

QijingZheng.github.io

Personal Website

bandStructure_with_colors

band structure with colormaps

introduction_to_imaginary-time_path_integrals

Self-made notes about imaginary time path-integral MD

VASP_PROCAR

A python class for VASP PROCAR file