MineralsCloud / qe-demystifyLinks
Demystify the undocumented Quantum ESPRESSO input/output
☆12Updated last year
Alternatives and similar repositories for qe-demystify
Users that are interested in qe-demystify are comparing it to the libraries listed below
Sorting:
- Draft for my book about implementing density functional theory☆20Updated 7 months ago
 - Julia codes to play with Phonons☆24Updated 6 years ago
 - Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated 5 months ago
 - Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
 - PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆15Updated 2 years ago
 - Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaro…☆32Updated 4 months ago
 - A collection of codes to compute dynamics and response quantities from Wannier90 output☆13Updated 2 weeks ago
 - A framework to treat strongly correlated materials using beyond-DFT methods☆25Updated 4 years ago
 - phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Updated 6 years ago
 - Accurate and fast tight-binding calculations, using pre-fit coefficients and three-body terms.☆33Updated last month
 - solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆38Updated last week
 - ☆11Updated 4 years ago
 - CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…☆18Updated this week
 - SPMS table of pseudopotentials☆19Updated 2 years ago
 - Simulation package for light-matter interaction.☆25Updated 6 months ago
 - soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆15Updated 3 years ago
 - Julia Bindings for Atomic Simulation Environment☆38Updated 4 years ago
 - Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆34Updated 3 weeks ago
 - A versatile Gutzwiller solver to optimize the single Slater determinant and local many-body degrees of freedom simultaneously within the …☆16Updated 5 years ago
 - Julia package to compute trap-assisted electron and hole capture in semiconductors☆57Updated 3 months ago
 - Calculate thermodynamic properties of matter using phonon gas model (PGM)☆16Updated 2 years ago
 - A phonon irreducible representations calculator☆22Updated last year
 - ☆18Updated last week
 - ☆12Updated 7 years ago
 - Fast and flexible nonadiabatic molecular dynamics in Julia!☆65Updated this week
 - D3Q + thermal2☆26Updated last month
 - Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆22Updated last year
 - Python modules for electron–phonon models☆36Updated this week
 - SeQuant: second quantization toolkit☆16Updated 2 years ago
 - Semiemperical quasiharmonic thermal elasticity☆20Updated last year