afonari / emcLinks
Effective Mass Calculator for Semiconductors
☆106Updated 4 years ago
Alternatives and similar repositories for emc
Users that are interested in emc are comparing it to the libraries listed below
Sorting:
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated last month
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆115Updated 2 years ago
- Phonon anharmonicity analysis from molecular dynamics☆128Updated 7 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 8 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- ☆53Updated last year
- KPROJ: A Band Unfolding Program☆45Updated 4 months ago
- ab-initio nonadiabatic molecular dynamics program☆106Updated last year
- An updated version of the VASP2WANNIER90v2 interface☆93Updated last year
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated last month
- VASPKIT_manual markdown source!☆79Updated 6 years ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated last year
- Export Eigenvectors from Phonopy format to VESTA☆43Updated 5 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆59Updated 3 weeks ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆66Updated last year
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆69Updated 9 months ago
- band plot using python matplotlib☆166Updated 7 months ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆79Updated 2 months ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 9 months ago
- A grain boundary generation code☆68Updated last year
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论，…☆62Updated 3 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- Concentric Approximation - Non-adiabatic Coupling☆24Updated 4 months ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆100Updated 4 years ago
- Visualize vibrational modes from VASP calculations☆41Updated 5 months ago
- A VASP calculation monitor. Written in Rust☆28Updated 6 months ago
- Fix lattice component(s) during relaxation in VASP☆119Updated 3 years ago
- Band unfolding for phonons☆54Updated 8 months ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆90Updated last month