fermisurfaces / IFermiLinks
Fermi surface generation, analysis and visualisation.
☆95Updated 3 weeks ago
Alternatives and similar repositories for IFermi
Users that are interested in IFermi are comparing it to the libraries listed below
Sorting:
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆51Updated this week
- a python package for computing magnetic interaction parameters☆80Updated this week
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- The Temperature Dependent Effective Potentials (TDEP) code☆83Updated this week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated last month
- Modeling and Crystallographic Utilities☆50Updated 2 years ago
- A module for ASE for elastic constants calculation.☆45Updated 4 months ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆53Updated this week
- Band structure unfolding made easy!☆53Updated this week
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 8 months ago
- Python interface for VASP☆84Updated this week
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆69Updated last month
- A computational framework to automate point defect calculations☆36Updated 7 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated last year
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆90Updated last month
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 5 months ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆100Updated 4 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆43Updated last year
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆100Updated 10 months ago
- Band unfolding for phonons☆54Updated 8 months ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 3 years ago
- A library of ultrasoft and PAW pseudopotentials☆80Updated 2 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- Dealing with slabs for first principles calculations of surfaces☆63Updated last year
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆37Updated 8 months ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆82Updated 5 years ago
- Ab initio tight binding simuation package☆28Updated 2 months ago
- A tool for creating and manipulating tight-binding models.☆39Updated 3 months ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆47Updated last week