Forerain / vasp_examplesLinks
☆22Updated 5 years ago
Alternatives and similar repositories for vasp_examples
Users that are interested in vasp_examples are comparing it to the libraries listed below
Sorting:
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Updated 6 years ago
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆23Updated 6 years ago
- quick analysis of vasp calculation☆38Updated last year
- ☆19Updated 6 years ago
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆37Updated 4 years ago
- DFT post processing tools☆26Updated last year
- 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,…☆66Updated 4 years ago
- ☆42Updated last year
- VASPKIT_manual markdown source!☆82Updated 6 years ago
- ☆23Updated 5 years ago
- vasp calculation flow☆22Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- some toolkits for VASP☆34Updated 4 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- ☆16Updated 5 years ago
- Automatic search for the most stable magnetic state of a given structure☆25Updated 2 years ago
- Some useful vasp scripts and tools☆22Updated 6 years ago
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆16Updated 5 years ago
- Occupation matrix control modification VASP☆53Updated 6 years ago
- A code to compute the radial distribution function☆21Updated 6 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Updated 5 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- VASP WAVECAR parser (Plotting pseudo wavefunction and get wavecar brief info)☆16Updated 3 years ago
- KPROJ: A Band Unfolding Program☆47Updated 11 months ago
- Tools for Phono(3)py power users.☆35Updated 2 years ago
- ☆24Updated last week
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated 2 months ago
- ☆12Updated 5 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated last week
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆38Updated 9 years ago