f-fathurrahman / ImplementingDFTLinks
Draft for my book about implementing density functional theory
☆20Updated 8 months ago
Alternatives and similar repositories for ImplementingDFT
Users that are interested in ImplementingDFT are comparing it to the libraries listed below
Sorting:
- Gold-Standard Chemical Database 138 (GSCDB138)☆30Updated last week
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆38Updated last week
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Julia codes to play with Phonons☆24Updated 7 years ago
- D3Q + thermal2☆26Updated last month
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆23Updated last month
- Accurate and fast tight-binding calculations, using pre-fit coefficients and three-body terms.☆33Updated 3 weeks ago
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆14Updated last month
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated 6 months ago
- SPMS table of pseudopotentials☆19Updated 2 years ago
- On-the-fly generator of space-group irreducible representations☆56Updated last week
- Point symmetry analysis tool for theoretical chemistry objects☆21Updated last week
- interacting Dynamic Electrons Approach☆28Updated last month
- soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆15Updated 3 years ago
- Ab initio electronic structure beyond density function theory☆27Updated 3 weeks ago
- Solve the N-D time-independent Schrödinger equation for a single particle.☆10Updated 6 years ago
- DFT simulation of He atom☆13Updated 4 years ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Updated 6 years ago
- A framework to treat strongly correlated materials using beyond-DFT methods☆25Updated 5 years ago
- Free energy calculators by Bayesian-inspired nested sampling and other integration techniques☆23Updated this week
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 3 years ago
- Lecture materials for: Ab initio methods in solid state physics.☆25Updated last year
- WEST code☆27Updated 4 months ago
- A general parser for VASP☆15Updated last week
- Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaro…☆32Updated 5 months ago
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 9 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆39Updated 2 years ago
- Package to handle integrals over Gaussian-type atomic orbitals.☆32Updated last month
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- A Fortran90 program for unfolding phonon dispersions☆11Updated 5 years ago