SPARC-X / M-SPARCLinks
Matlab Simulation Package for Ab-initio Real-space Calculations
☆28Updated 2 months ago
Alternatives and similar repositories for M-SPARC
Users that are interested in M-SPARC are comparing it to the libraries listed below
Sorting:
- SPMS table of pseudopotentials☆21Updated 2 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆55Updated this week
- Simulation Package for Ab-initio Real-space Calculations☆94Updated last month
- PRinceton Orbital-Free Electronic Structure Software☆29Updated 5 years ago
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆35Updated last month
- D3Q + thermal2☆26Updated 2 months ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Updated 6 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆55Updated last month
- Code for the Selected Columns of the Density Matrix suite of algorithms☆14Updated 7 years ago
- Pseudopotential Studio☆21Updated 4 years ago
- A poor man's density functional theory program☆14Updated last month
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆21Updated 2 months ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆62Updated 3 years ago
- ☆30Updated 7 years ago
- plane wave basis set density functional thoery code☆19Updated 7 months ago
- On-the-fly generator of space-group irreducible representations☆56Updated last week
- WEST code☆31Updated 5 months ago
- Topological Analysis for Molecular Systems☆17Updated 6 years ago
- Massively parallel vibrational mode calculator.☆23Updated last year
- Multiple Scattering Theory code for first principles calculations☆75Updated this week
- ☆22Updated 6 years ago
- This is a GPU optimized version of ShengBTE.☆19Updated last year
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- Lecture materials for: Ab initio methods in solid state physics.☆26Updated 2 weeks ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆17Updated this week
- Python-based plane wave density functional theory code for educational purposes☆33Updated 10 months ago
- Full public release of large scale and linear scaling DFT code CONQUEST☆116Updated last month
- software package for tight-binding DFT calculations on ground and excited states of molecules☆12Updated 5 years ago