gaoheng1015's repositories
bandup
BandUP: Band Unfolding code for Plane-wave based calculations
hotbit
ASE density-functional tight-binding calculator
kramers-kronig-transformation
Calculate the real part of the dielectric function from the imaginary part for vasp users
mcsolver
A user friendly tools using Monte Carlo simulations for estimation of Curie temperature
QE-GPU
GPU-accelerated Quantum ESPRESSO
spinw
SpinW Matlab library for spin wave calculation
TB2J
a python package for computing magnetic interaction parameters
topocm_content
Course on topology in condensed matter
VASP
Python program to evaluate off-resonance Raman activity using VASP code as the backend.
VASP-infrared-intensities
A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.
VASP_PROCAR
A python class for VASP PROCAR file
VASP_TDM
Transition Dipole Moments from VASP WAVECAR
wannier_tools
Wannier tools set for topological novel materials
wavecar2unk
Converts the VASP WAVECAR to UNK files for wannier90.