SPARC-X / SPMS-pspsLinks
SPMS table of pseudopotentials
☆19Updated 2 years ago
Alternatives and similar repositories for SPMS-psps
Users that are interested in SPMS-psps are comparing it to the libraries listed below
Sorting:
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆16Updated 2 months ago
- Embedding module for VASP and tools for its use.☆10Updated 7 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Updated 6 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated last week
- D3Q + thermal2☆27Updated 2 weeks ago
- DFT-D3 interface☆12Updated 2 years ago
- Point symmetry analysis tool for theoretical chemistry objects☆20Updated 6 months ago
- Pythonic electronic structure theory.☆19Updated 4 months ago
- Semiemperical quasiharmonic thermal elasticity☆20Updated last year
- Tutorial files for alamode☆13Updated last year
- PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulat…☆16Updated 6 years ago
- interacting Dynamic Electrons Approach☆27Updated 3 months ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆37Updated last week
- WEST code☆24Updated 2 months ago
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- Python modules for electron–phonon models☆36Updated 2 weeks ago
- Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)☆15Updated this week
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆13Updated 3 months ago
- Generate isosurface from density data☆14Updated 4 months ago
- MAterials Simulation Toolkit for use with pymatgen☆17Updated last year
- An interface for ELK-Wannier90 calculations☆16Updated 4 years ago
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆20Updated last month
- Draft for my book about implementing density functional theory☆19Updated 6 months ago
- ☆20Updated 9 months ago
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆14Updated last year
- Set of Kohn-Sham DFT inputs (CASTEP format) for which the SCF iterations are difficult to converge☆13Updated 6 years ago
- Lecture materials for: Ab initio methods in solid state physics.☆22Updated 9 months ago
- Julia codes to play with Phonons☆24Updated 6 years ago
- This is a GPU optimized version of ShengBTE.☆17Updated last year