zjwang11 / IRVSPLinks
IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10.1016/j.cpc.2020.107760.
☆116Updated 2 years ago
Alternatives and similar repositories for IRVSP
Users that are interested in IRVSP are comparing it to the libraries listed below
Sorting:
- ☆67Updated 2 weeks ago
- An updated version of the VASP2WANNIER90v2 interface☆97Updated last year
- ☆55Updated last year
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆84Updated 4 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆71Updated 11 months ago
- KPROJ: A Band Unfolding Program☆45Updated 5 months ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆82Updated 5 years ago
- band plot using python matplotlib☆165Updated 9 months ago
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆40Updated 11 months ago
- Export Eigenvectors from Phonopy format to VESTA☆45Updated 7 months ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆100Updated 4 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 months ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- Effective Mass Calculator for Semiconductors☆108Updated 4 years ago
- ab-initio nonadiabatic molecular dynamics program☆108Updated last year
- Fix lattice component(s) during relaxation in VASP☆123Updated 3 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- Phonon anharmonicity analysis from molecular dynamics☆130Updated 8 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆62Updated 2 months ago
- Concentric Approximation - Non-adiabatic Coupling☆24Updated 5 months ago
- Visualise lattice vibrations☆98Updated 2 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆67Updated 3 weeks ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆27Updated last year
- Python code for twisting the 2D materials.☆30Updated 2 years ago
- Symmetry analysis and symmetrize in Wannier orbitals☆41Updated last year
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆65Updated this week
- a python package for computing magnetic interaction parameters☆80Updated last week
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Electronic transport properties from first-principles calculations☆153Updated 3 weeks ago
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆22Updated 3 years ago