kcbhamu's repositories
100days-ML-code
100天机器学习 （翻译+ 实操）
ascii-phonons
Blender extensions for illustrations of phonons
BolltzTraP
calculate the transport properties
BoltzGnu
BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data
CarrierCapture.jl
Package to compute trap-assisted electron and hole capture rates in semiconducting compounds
castepconv
CASTEPconv, a tool to automate convergence calculations with CASTEP
DiffuseCode
Suite of programs to simulate disordered and nanomaterials
effec_mass
Python implementation for hyperbolic fit to band effective mass
effective_mass_calculator
some tools to calculate the effective mass
emc
Effective Mass Calculator for Semiconductors
EPC-MatrixElement-Drawing
How to draw matrix elements of Electron-Phonon-Coupling(EPC) calculated by Quantum ESPRESSO
espresso-bands
Plots bands and fatbands from quantum espresso output files
Excimontec_Analysis
An Igor Pro package for loading, analyzing, and plotting data generated by the Excimontec simulation tool
gruneisen-formula
Calculate thermal expansion by using gruneisen formula, based on VASP and Phonopy.
jarvis
Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated framework for computational science using density functional theory, classical force-field/molecular dynamics and machine-learning.
Korea-STM-Project
Custom STM simulation post processing code for Quantum Espresso
kpath
Python script for generating points of high symmetry in band structure calculation. Currently this code supports Quantum Espresso
MLclass
This is the repo of my "Deep Learning Zoo" course at UC Davis
pbcpy
Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids. This is a mirror of https://gitlab.com/ales.genova/pbcpy
phonon_qe
Phonon with Quantum espresso
Phosphorene
A collection of different isomer of phosphorene
post-procesing_dft
Post procesing procedures written in Python3 for manipulating wave-function data from Quantum Espresso
qe-environ-sc
Quantum Espresso 6.1 with Environ 0.2 module modified to allow calculation of semiconductor-solution interfaces
qetools
some tools for QE
Quantum-Espresso-Tools
Collection of Quantum Espresso tools to analyze phonon calculations
Quantum_Espresso_automatization
Bash scripts to automatize the optimization of the main properties of our input files when doing electronic structure calculations with quantum espresso
some-Quantum-Espresso-tools
some tools writen in python for pre-possess and post-possess
yambopy
Automatize yambo calculations using python scripts