nawu97 / qe-study
scripts related to qe
☆22Updated 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 3 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated 11 months ago
- KPROJ: A Band Unfolding Program☆38Updated last month
- ☆20Updated 4 years ago
- Occupation matrix control modification VASP☆45Updated 5 years ago
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆37Updated 7 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆68Updated 7 months ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆27Updated 4 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated 11 months ago
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆34Updated 3 years ago
- quick analysis of vasp calculation☆35Updated 9 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆28Updated 2 months ago
- Band unfolding for phonons☆54Updated 5 months ago
- some toolkits for VASP☆28Updated 3 years ago
- Visualize vibrational modes from VASP calculations☆39Updated 2 months ago
- python workflow for GW-BSE calculation☆27Updated last year
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆36Updated 6 months ago
- DFT post processing tools☆23Updated 8 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated 4 months ago
- ☆37Updated last year
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated last month
- Concentric Approximation - Non-adiabatic Coupling☆23Updated last month
- ☆27Updated 2 years ago
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆21Updated 3 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 tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆33Updated 2 years ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆30Updated last year
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆57Updated 5 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆65Updated 11 months ago