Chengcheng-Xiao / VASP2WAN90_v2_fix
An updated version of the VASP2WANNIER90v2 interface
☆90Updated last year
Alternatives and similar repositories for VASP2WAN90_v2_fix:
Users that are interested in VASP2WAN90_v2_fix are comparing it to the libraries listed below
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆109Updated 2 years ago
- ☆47Updated last year
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆66Updated 4 months ago
- KPROJ: A Band Unfolding Program☆37Updated last week
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆33Updated 4 months ago
- ☆63Updated last week
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆73Updated 4 years ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆71Updated 2 weeks ago
- Export Eigenvectors from Phonopy format to VESTA☆37Updated 3 weeks ago
- to compute kp parameters and Lande g-factors directly from the VASP wavefunctions. Ref: Zhang et al., Chin. Phys. Lett. 40, 127101 (2023…☆20Updated 7 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆76Updated last year
- ☆20Updated 4 years ago
- ☆26Updated 2 years ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 2 years ago
- Symmetry analysis and symmetrize in Wannier orbitals☆40Updated 8 months ago
- Phonon anharmonicity analysis from molecular dynamics☆117Updated 2 months ago
- Occupation matrix control modification VASP☆44Updated 5 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆99Updated 3 years ago
- Band unfolding for phonons☆51Updated 2 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated last month
- A repository hosting materials used during Wannier-related tutorials and schools☆40Updated 7 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆63Updated 9 months ago
- Fix lattice component(s) during relaxation in VASP☆112Updated 2 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆52Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 8 months ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆26Updated last year
- ab-initio nonadiabatic molecular dynamics program☆101Updated 7 months ago
- LAMMPS interface for phonon calculations using phonopy☆84Updated 4 months ago
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆34Updated 3 years ago
- a python package for computing magnetic interaction parameters☆72Updated 2 weeks ago