qijingzheng Goto Github PK
Name: 郑奇靖
Type: User
Company: University of Science and Technology of China
Location: Hefei, China
郑奇靖 's Projects
hefei-namd
ab-initio nonadiabatic molecular dynamics program
introduction_to_imaginary-time_path_integrals
Self-made notes about imaginary time path-integral MD
ipi_vasp_driver
VASP interface for i-pi
numerov_schrod1d
Matrix numerov method for solving 1D Schrodinger equation.
phonon_angular_momentum
pwnac
Calculate NACs from PWSCF wavefunctions
pyband
band plot using python matplotlib
pyqt_vasp_stm
pysbt
A python implementation of spherical Bessel transform (SBT) based on algorithm proposed by J. Talman.
qijingzheng.github.io
Personal Website
solidstatephysicsnotes
tutorials_hefei-namd
usefulpythonsnippet
Some useful python scrippets
vasp_fermisurface
vasp_procar
A python class for VASP PROCAR file
vasp_stm_simulation
vasp_tdm
Transition Dipole Moments from VASP WAVECAR
vasp_xdatcar
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.
vaspposcarmayavi
Use 3D visualization software Mayavi to visualize VASP POSCAR file.
vaspvib2xsf
Visualize vibrational modes from VASP calculations
vaspwfc
create wavefunction file from selected spin, kpoint and band index in VASP wavecar
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