ChangChunHe / pyvaspflow
vasp calculation flow
☆20Updated last year
Related projects ⓘ
Alternatives and complementary repositories for pyvaspflow
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- ☆17Updated 5 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆30Updated 2 years ago
- some toolkits for VASP☆26Updated 3 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆25Updated 5 years ago
- ☆24Updated last year
- Ferroelectric/Ferroelastic domain wall builder☆16Updated 3 weeks ago
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆22Updated 5 years ago
- ☆14Updated 4 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆26Updated 4 months ago
- Automatic search for the most stable magnetic state of a given structure☆19Updated last year
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆31Updated last month
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆29Updated 6 months ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆24Updated 9 years ago
- quick analysis of vasp calculation☆35Updated 5 months ago
- Tutorials on atomic simulations related to my research☆27Updated 2 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆24Updated 8 months ago
- Calculate 3rd order elastic constant.☆13Updated 2 years ago
- Export Eigenvectors from Phonopy format to VESTA☆33Updated last month
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆22Updated 2 years ago
- DFT post processing tools☆23Updated 3 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆50Updated 2 years ago
- ☆20Updated 4 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆47Updated 6 months ago
- Interfacial Phonon code☆25Updated 2 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆12Updated 2 weeks ago
- ☆37Updated 8 months ago
- ☆21Updated 2 years ago
- Visualize vibrational modes from VASP calculations☆37Updated 2 years ago
- Occupation matrix control modification VASP☆42Updated 5 years ago