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 last month
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated last month
- Pythonic electronic structure theory.☆18Updated 2 months ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Updated 6 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- D3Q + thermal2☆26Updated this week
- Embedding module for VASP and tools for its use.☆10Updated 6 months ago
- Cornell-Holland Ab-initio Materials Package☆16Updated last year
- Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)☆13Updated 3 weeks ago
- An interface for ELK-Wannier90 calculations☆16Updated 4 years ago
- WEST code☆23Updated 3 weeks ago
- Tutorial files for alamode☆13Updated last year
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆13Updated 3 years ago
- Semiemperical quasiharmonic thermal elasticity☆20Updated last year
- n2v: Density-to-potential Inversion Suite☆23Updated 2 years ago
- A framework to treat strongly correlated materials using beyond-DFT methods☆24Updated 4 years ago
- SOC integrals generator with atomic mean field approximation☆10Updated last month
- Natural-orbital Functional based on PySCF☆10Updated 11 months ago
- ☆14Updated 2 months ago
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆13Updated last month
- ☆12Updated 6 months ago
- interacting Dynamic Electrons Approach☆27Updated 2 months ago
- WanTiBEXOS code repository☆14Updated 2 weeks ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆35Updated last week
- Pseudopotential Studio☆20Updated 4 years ago
- ☆19Updated 8 months ago
- Tutorial for Wannier2022☆16Updated 3 months ago
- A set of useful tools for Quantum ESPRESSO☆33Updated 2 months ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 2 months ago
- Point symmetry analysis tool for theoretical chemistry objects☆20Updated 5 months ago