afonari / emcLinks
Effective Mass Calculator for Semiconductors
☆110Updated 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.☆81Updated 4 months ago
- ☆58Updated 2 years ago
- ab-initio nonadiabatic molecular dynamics program☆114Updated last year
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆83Updated 5 years ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆87Updated 6 months ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆119Updated 2 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated this week
- An updated version of the VASP2WANNIER90v2 interface☆100Updated 2 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆102Updated 4 years ago
- band plot using python matplotlib☆175Updated 11 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆71Updated 2 months ago
- Blender extensions for illustrations of phonons☆66Updated 6 years ago
- Electronic transport properties from first-principles calculations☆156Updated this week
- Visualise lattice vibrations☆101Updated 4 months ago
- A Python library for electronic structure pre/post-processing☆190Updated last week
- Tutorials for the sisl-TBtrans-TranSiesta suite☆43Updated 10 months ago
- a python package for computing magnetic interaction parameters☆84Updated 3 weeks ago
- Occupation matrix control modification VASP☆50Updated 6 years ago
- Band unfolding for phonons☆57Updated 11 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆69Updated 2 months ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆168Updated last month
- ☆70Updated 2 weeks ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 4 months ago
- ☆57Updated 3 years ago
- 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,…☆64Updated 4 years ago
- KPROJ: A Band Unfolding Program☆47Updated 7 months ago
- LAMMPS interface for phonon calculations using phonopy☆88Updated last year
- Export Eigenvectors from Phonopy format to VESTA☆48Updated 9 months ago