SPARC-X / M-SPARCLinks
Matlab Simulation Package for Ab-initio Real-space Calculations
☆28Updated 7 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☆19Updated 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
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆15Updated 2 months ago
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- Simulation Package for Ab-initio Real-space Calculations☆80Updated last week
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆48Updated last week
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆51Updated last week
- Pseudopotential converter from upf to psp8☆11Updated 2 years ago
- ☆20Updated last year
- The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…☆12Updated 6 years ago
- A poor man's density functional theory program☆13Updated 7 months ago
- Massively parallel vibrational mode calculator.☆23Updated 10 months ago
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆19Updated last week
- plane wave basis set density functional thoery code☆19Updated 3 weeks ago
- Tutorial notebook for symmetry features in ASE☆24Updated 5 years ago
- D3Q + thermal2☆26Updated 2 weeks ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Updated 5 years ago
- Lecture materials for: Ab initio methods in solid state physics.☆21Updated 6 months ago
- Extended DeepH (xDeepH) method for magnetic materials.☆37Updated 2 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆22Updated 5 years ago
- ☆30Updated 7 years ago
- JAX-based framework for Lattice Hamiltonian simulation☆17Updated 2 months ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Python-based plane wave density functional theory code for educational purposes☆29Updated 3 months ago
- Pseudopotential Studio☆20Updated 4 years ago
- Calculate thermodynamic properties of matter using phonon gas model (PGM)☆15Updated last year
- interacting Dynamic Electrons Approach☆27Updated 11 months ago
- Embedding module for VASP and tools for its use.☆9Updated 4 months ago
- ☆21Updated 5 years ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆16Updated this week