band-unfolding / bandupLinks
BandUP: Band Unfolding code for Plane-wave based calculations
☆107Updated 4 years ago
Alternatives and similar repositories for bandup
Users that are interested in bandup are comparing it to the libraries listed below
Sorting:
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆90Updated 5 years ago
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- ☆73Updated last month
- Visualise lattice vibrations☆107Updated 7 months ago
- a python package for computing magnetic interaction parameters☆90Updated last week
- ☆65Updated 2 years ago
- An updated version of the VASP2WANNIER90v2 interface☆106Updated 2 years ago
- Band unfolding for phonons☆58Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆83Updated 8 months ago
- Blender extensions for illustrations of phonons☆67Updated 6 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆68Updated 3 months ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆123Updated 3 years ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 4 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆78Updated 5 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated 2 months ago
- Occupation matrix control modification VASP☆53Updated 6 years ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆95Updated last week
- Exchange parameters of Heisenberg model calculation via Green's function approach☆34Updated last year
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Updated 2 years ago
- A repository hosting materials used during Wannier-related tutorials and schools☆45Updated last year
- Advanced tool for Wannier interpolation and integration of k-space integrals☆110Updated last month
- A Python library for electronic structure pre/post-processing☆199Updated last week
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆89Updated 9 months ago
- BerkeleyGW python☆32Updated 4 years ago
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆33Updated 3 years ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆148Updated 9 months ago
- ab-initio nonadiabatic molecular dynamics program☆116Updated last year
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated 2 years ago
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆44Updated last year
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆37Updated 4 years ago