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:
- Julia codes to play with Phonons☆24Updated 7 years ago
- Draft for my book about implementing density functional theory☆20Updated 8 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆15Updated 2 months ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Updated 6 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…☆19Updated last month
- A framework to treat strongly correlated materials using beyond-DFT methods☆25Updated 5 years ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆38Updated this week
- D3Q + thermal2☆26Updated last month
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated 7 months ago
- Lecture materials for: Ab initio methods in solid state physics.☆25Updated last year
- WanTiBEXOS code repository☆15Updated last week
- Free energy calculators by Bayesian-inspired nested sampling and other integration techniques☆23Updated last week
- Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response☆23Updated 3 years ago
- A Fortran90 program for unfolding phonon dispersions☆11Updated 5 years ago
- SPMS table of pseudopotentials☆21Updated 2 years ago
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆34Updated 3 weeks ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆18Updated 2 weeks ago
- Tutorial for Wannier2022☆16Updated last month
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- Python modules for electron–phonon models☆37Updated 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
- Density matrix embedding theory for periodic systems☆18Updated 4 years ago
- many-body perturbation theory without empty states☆12Updated 7 years ago
- soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆15Updated 3 years ago
- Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaro…☆32Updated 6 months ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 3 years ago
- Accurate and fast tight-binding calculations, using pre-fit coefficients and three-body terms.☆33Updated this week
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Updated 3 weeks ago
- Calculating electron-phonon couplings with DFTB.☆10Updated last week