times-software / feff10
☆24Updated last week
Alternatives and similar repositories for feff10:
Users that are interested in feff10 are comparing it to the libraries listed below
- ☆11Updated 5 months ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆48Updated this week
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆22Updated last year
- Thermodynamics of solids in the quasiharmonic approximation.☆35Updated 2 weeks ago
- Lecture materials for: Ab initio methods in solid state physics.☆21Updated 4 months ago
- Course materials for NANO 106 - Crystallography of Materials☆34Updated 2 years ago
- BSE code for core spectroscopy☆18Updated 6 months ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆48Updated this week
- Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.☆36Updated 3 months ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆37Updated 8 months ago
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆13Updated 7 months ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆19Updated 4 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆39Updated 6 months ago
- A computational framework to automate point defect calculations☆36Updated 6 years ago
- A tool for creating and manipulating tight-binding models.☆38Updated last month
- Real-time TDDFT for Quantum-Espresso☆24Updated last year
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆34Updated 8 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆47Updated 6 months ago
- A one-stop-shop for handling data in computational spectroscopy☆16Updated last month
- D3Q + thermal2☆25Updated this week
- ☆29Updated 6 years ago
- ☆11Updated 5 years ago
- Python-based plane wave density functional theory code for educational purposes☆24Updated 3 weeks ago
- A Basic Symmetry Module (Python)☆17Updated this week
- Library for Bayesian error estimation functionals for use in density functional theory codes☆24Updated 2 years ago
- A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…☆16Updated 2 months ago
- On-the-fly generator of space-group irreducible representations☆49Updated this week
- Python framework for generating and validating pseudo potentials☆42Updated last year
- interacting Dynamic Electrons Approach☆27Updated 8 months ago
- SPMS table of pseudopotentials☆19Updated 2 years ago