tamaswells / VASPKIT_manual
VASPKIT_manual markdown source!
☆78Updated 5 years ago
Alternatives and similar repositories for VASPKIT_manual:
Users that are interested in VASPKIT_manual are comparing it to the libraries listed below
- Fix lattice component(s) during relaxation in VASP☆116Updated 3 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆56Updated 5 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- KPROJ: A Band Unfolding Program☆38Updated last month
- ☆56Updated 3 months ago
- ☆117Updated 6 years ago
- ab-initio nonadiabatic molecular dynamics program☆102Updated 10 months ago
- A lite tool for monitoring convergence in VASP relaxation☆16Updated 8 months ago
- Phonon anharmonicity analysis from molecular dynamics☆122Updated 4 months ago
- ☆47Updated 11 months ago
- ☆20Updated 4 years ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆27Updated last year
- A collection of scripts to interpret/organize VASP output files☆23Updated 8 years ago
- 新生入学培训资料☆18Updated 2 years ago
- Occupation matrix control modification VASP☆45Updated 5 years ago
- Some scripting tools used for lammps input or output☆58Updated 2 years ago
- Useful scripts for VASP☆185Updated 3 years ago
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书 。理论依据为密度泛函(DFT)理论,…☆57Updated 3 years ago
- LAMMPS interface for phonon calculations using phonopy☆85Updated 6 months ago
- An updated version of the VASP2WANNIER90v2 interface☆91Updated last year
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆112Updated 2 years ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆36Updated 5 months ago
- Visualize vibrational modes from VASP calculations☆39Updated 2 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated 11 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated 11 months ago
- ☆48Updated 2 years ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆72Updated 2 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆65Updated 11 months ago
- Export Eigenvectors from Phonopy format to VESTA☆38Updated 3 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆56Updated 3 weeks ago