Pinned Repositories
ABOP_lammps
Collection of some analytical bond order potentials ( listed in the LAMMPS format) from literature
amset
Electronic transport properties from first-principles calculations
band_emc
Post-process the VASP output files to obtain the Fermi surface, (fat) band structures, and effective mass.
cp2k_xas_tool
Broaden the XAS spectra simulated by CP2K.
document_combo
empirical_thermal_conductivity
Estimate the thermal conductivity using empirical models
houzf.github.io
Research and blog
plot_ORR_G
poscar2xsf
Convert a POSCAR-format-like file to a XSF file (visualized by XCrySDen)
tools4vasp
some tools for post-processing VASP output files.
houzf's Repositories
houzf/poscar2xsf
Convert a POSCAR-format-like file to a XSF file (visualized by XCrySDen)
houzf/empirical_thermal_conductivity
Estimate the thermal conductivity using empirical models
houzf/tools4vasp
some tools for post-processing VASP output files.
houzf/ABOP_lammps
Collection of some analytical bond order potentials ( listed in the LAMMPS format) from literature
houzf/band_emc
Post-process the VASP output files to obtain the Fermi surface, (fat) band structures, and effective mass.
houzf/cp2k_xas_tool
Broaden the XAS spectra simulated by CP2K.
houzf/plot_ORR_G
houzf/amset
Electronic transport properties from first-principles calculations
houzf/document_combo
houzf/houzf.github.io
Research and blog
houzf/orient-molecule
Python script for command-line manipulation of molecules
houzf/sphinxcontrib-bibtex
Sphinx extension for bibtex style references.
houzf/VASP-on-K-computer
Makefile and shell script for using VASP on K computer