nawu97 / qe-study
scripts related to qe
☆20Updated 3 years ago
Alternatives and similar repositories for qe-study:
Users that are interested in qe-study are comparing it to the libraries listed below
- Export Eigenvectors from Phonopy format to VESTA☆38Updated last month
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated 3 months ago
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆34Updated 5 months ago
- KPROJ: A Band Unfolding Program☆38Updated 2 weeks ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 10 months ago
- Occupation matrix control modification VASP☆44Updated 5 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆41Updated last year
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆55Updated this week
- VASP Convergence Testing (for Energy & Dielectric Constants)☆52Updated 10 months ago
- Band unfolding for phonons☆52Updated 3 months ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆24Updated 3 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- quick analysis of vasp calculation☆35Updated 8 months ago
- ☆26Updated 2 years ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆67Updated 5 months ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆27Updated last month
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆110Updated 2 years ago
- Visualize vibrational modes from VASP calculations☆37Updated last month
- DFT post processing tools☆23Updated 6 months ago
- ☆47Updated last year
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆25Updated 5 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
- ☆24Updated last year
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆29Updated last year
- 新生入学培训资料☆17Updated 2 years ago
- A machine learning workflow for calculating the electron-phonon coupling (EPC)☆23Updated 4 months ago
- A collection of examples for running different types of VASP calculations.☆29Updated 8 years ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆18Updated last week
- ☆63Updated 2 weeks ago
- ☆18Updated 5 years ago