nawu97 / qe-studyLinks
scripts related to qe
☆23Updated 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
Sorting:
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆29Updated 7 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆40Updated 10 months ago
- Export Eigenvectors from Phonopy format to VESTA☆43Updated 6 months ago
- KPROJ: A Band Unfolding Program☆45Updated 4 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆69Updated 10 months ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- ☆28Updated last month
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆34Updated 3 years ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆37Updated 8 months ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆29Updated 2 months ago
- Concentric Approximation - Non-adiabatic Coupling☆24Updated 4 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- ☆21Updated 4 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆24Updated 4 years ago
- quick analysis of vasp calculation☆36Updated last year
- DFT post processing tools☆24Updated 11 months ago
- ☆39Updated last year
- some toolkits for VASP☆30Updated 4 years ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆25Updated 5 years ago
- Interfacial Phonon code☆27Updated 2 years ago
- Band unfolding for phonons☆54Updated 8 months ago
- A machine learning workflow for calculating the electron-phonon coupling (EPC)☆29Updated last month
- Visualize vibrational modes from VASP calculations☆41Updated 5 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆61Updated 7 months ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆115Updated 2 years ago
- ☆19Updated 6 years ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆32Updated 2 years ago