uw-cmg / MAST-SEYLinks
Monte Carlo Modeling of Secondary Electron Emission using fully DFT input
☆17Updated 2 years ago
Alternatives and similar repositories for MAST-SEY
Users that are interested in MAST-SEY are comparing it to the libraries listed below
Sorting:
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated 4 months ago
- Lecture materials for: Ab initio methods in solid state physics.☆22Updated 9 months ago
- This is a GPU optimized version of ShengBTE.☆17Updated 11 months ago
- Draft for my book about implementing density functional theory☆19Updated 5 months ago
- ☆30Updated 5 years ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Updated 6 years ago
- ☆30Updated 7 years ago
- ☆11Updated 4 years ago
- D3Q + thermal2☆27Updated last week
- MOHA: MOlecular HAmiltonian☆15Updated 2 years ago
- many-body perturbation theory without empty states☆12Updated 7 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆19Updated last month
- Julia codes to play with Phonons☆24Updated 6 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- A general parser for VASP☆14Updated this week
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆13Updated 7 months ago
- On-the-fly generator of space-group irreducible representations☆55Updated last week
- decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations☆11Updated 10 months ago
- A library for symmetry operations and linear interpolation within an irreducible part of the first Brillouin zone.☆17Updated last week
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆13Updated 2 months ago
- SeQuant: second quantization toolkit☆16Updated 2 years ago
- WanTiBEXOS code repository☆14Updated 3 weeks ago
- Technical software application for creating tight-binding Hamiltonian from DFT results☆19Updated 2 years ago
- Point symmetry analysis tool for theoretical chemistry objects☆20Updated 6 months ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Updated this week
- ☆12Updated 5 years ago
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- A python package of utils for DFT, Tight binding, etc.☆16Updated 3 months ago
- A framework to treat strongly correlated materials using beyond-DFT methods☆25Updated 4 years ago