golddoushi / mcsolverLinks
A user friendly tools using Monte Carlo simulations for estimation of Curie temperature
☆88Updated 6 months ago
Alternatives and similar repositories for mcsolver
Users that are interested in mcsolver are comparing it to the libraries listed below
Sorting:
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆120Updated 3 years ago
- An updated version of the VASP2WANNIER90v2 interface☆101Updated 2 years ago
- KPROJ: A Band Unfolding Program☆47Updated 8 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆73Updated 2 months ago
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆36Updated 3 years ago
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆41Updated last year
- ☆58Updated 2 years ago
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆103Updated 4 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Band unfolding for phonons☆57Updated last year
- Occupation matrix control modification VASP☆50Updated 6 years ago
- ☆71Updated last week
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- Fix lattice component(s) during relaxation in VASP☆124Updated 3 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆87Updated 5 years ago
- band plot using python matplotlib☆175Updated 11 months ago
- ab-initio nonadiabatic molecular dynamics program☆115Updated last year
- ☆40Updated last year
- ☆31Updated 5 months ago
- Export Eigenvectors from Phonopy format to VESTA☆49Updated 10 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆69Updated last week
- ☆23Updated 4 years ago
- VASPKIT_manual markdown source!☆80Updated 6 years ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆28Updated 4 years ago
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆22Updated 3 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆50Updated last week
- a python package for computing magnetic interaction parameters☆85Updated this week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 5 months ago
- A collection of scripts to interpret/organize VASP output files☆24Updated 9 years ago