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.
☆124Updated 3 years ago
Alternatives and similar repositories for IRVSP
Users that are interested in IRVSP are comparing it to the libraries listed below
Sorting:
- An updated version of the VASP2WANNIER90v2 interface☆106Updated 2 years ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆90Updated 10 months ago
- ☆73Updated last week
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆78Updated 6 months ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆90Updated 6 years ago
- ☆68Updated 2 years ago
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆44Updated last year
- band plot using python matplotlib☆179Updated last year
- Occupation matrix control modification VASP☆53Updated 6 years ago
- KPROJ: A Band Unfolding Program☆47Updated 11 months ago
- Export Eigenvectors from Phonopy format to VESTA☆51Updated last year
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆74Updated 2 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated last week
- ab-initio nonadiabatic molecular dynamics program☆116Updated last year
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- Python code for twisting the 2D materials.☆30Updated 3 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆107Updated 4 years ago
- Fix lattice component(s) during relaxation in VASP☆136Updated 2 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆83Updated 8 months ago
- Concentric Approximation - Non-adiabatic Coupling☆25Updated 2 months ago
- a python package for computing magnetic interaction parameters☆91Updated last week
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆28Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- Visualise lattice vibrations☆107Updated 8 months ago
- Symmetry analysis and symmetrize in Wannier orbitals☆43Updated last year
- Phonon anharmonicity analysis from molecular dynamics☆136Updated 4 months ago
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆23Updated 3 years ago
- Band unfolding for phonons☆58Updated last year
- Electronic transport properties from first-principles calculations☆158Updated 2 weeks ago
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆37Updated 4 years ago