Pinned Repositories
100days-ML-code
100天机器学习 （翻译+ 实操）
Ab-initio-tools
Set of tools that can help with the pre- and post-processing of first-principles calculations (primarily QE)
AICON2
AICON2: A program for calculating transport properties quickly and accurately
aiida-wien2k
WIEN2k plug-in for AiiDA workflow management
ComputationalPhysics300
computational physics class taught at UNLV (Phys300)
EffectiveMass
Materials Studio (DMol3 and CASTEP) tools for calculating effective mass and electron density difference.
MD-Simulation--Gromacs
Gromacs MD Run from CHARMM-Gui and Results Analysis
VASProcar-Python-tools-VASP
Python 3 code for extracting information and results from the following VASP output files (CONTCAR, KPOINTS, OUTCAR, PROCAR, DOSCAR, LOCPOT, PARCHG and vasprun.xml). https://doi.org/10.5281/zenodo.6343960
wannierpy
Python Scripts to handle Wannier90 files
kcbhamu's Repositories
kcbhamu/boltzmann
ICCP project 3, Lattice Boltzmann
kcbhamu/Boltztrap-Plotter
kcbhamu/Chern_nubmer_calculation
Using different method to calculate Chern number for Haldane model
kcbhamu/computational_physics_N2014301020026
kcbhamu/coordinateTransform
A Python script to transform a set of atomic positions between Cartesian and fractional coordinate systems and vice versa.
kcbhamu/dft-book
A book on modeling materials using VASP, ase and vasp
kcbhamu/distribution
Analysis of thermal conductivity calculated from phonopy
kcbhamu/Effective-Mass
effective mass approximation for semiconductor impurities
kcbhamu/ElaStic-Patches
kcbhamu/gnuplot-colorbrewer
ColorBrewer color schemes for gnuplot
kcbhamu/grupy
Python module I used in graduate school for analyzing data from quantum mechanical simulations
kcbhamu/latexslides
Automatically exported from code.google.com/p/latexslides
kcbhamu/MaterialsDiscovery
kcbhamu/qe2axsf
Converts Quantum Espresso Output Files to AXSF Files
kcbhamu/VASP-Examples
A collection of examples for running different types of VASP calculations.
kcbhamu/wannier_tools
Wannier tools set for topological novel materials
kcbhamu/wien2elk
convert WIEN2k structure file to elk input file