Embedding module for VASP and tools for its use.
☆10Feb 20, 2025Updated last year
Alternatives and similar repositories for VASPEmbedding
Users that are interested in VASPEmbedding are comparing it to the libraries listed below
Sorting:
- SPMS table of pseudopotentials☆21Jan 22, 2023Updated 3 years ago
- A real-space DFT code☆16Dec 4, 2020Updated 5 years ago
- A general parser for VASP☆15Updated this week
- PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulat…☆17May 9, 2019Updated 6 years ago
- DFT-D3 interface☆12Apr 3, 2023Updated 2 years ago
- Pseudopotential converter from upf to psp8☆11Jan 25, 2023Updated 3 years ago
- Matlab Simulation Package for Ab-initio Real-space Calculations☆30Nov 10, 2025Updated 4 months ago
- DMRG and DMRGSCF☆15Mar 8, 2024Updated 2 years ago
- A tool for calculating distortion parameters in coordination complexes.☆18Jan 23, 2026Updated last month
- Generate isosurface from density data☆14Mar 7, 2026Updated 2 weeks ago
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆14Jun 5, 2024Updated last year
- A framework to treat strongly correlated materials using beyond-DFT methods☆25Dec 1, 2020Updated 5 years ago
- ☆20Jan 22, 2022Updated 4 years ago
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆11Apr 11, 2021Updated 4 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- PRinceton Orbital-Free Electronic Structure Software☆29Jul 19, 2020Updated 5 years ago
- Density matrix embedding theory for periodic systems☆18Dec 3, 2021Updated 4 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- quick analysis of vasp calculation☆38Jun 7, 2024Updated last year
- Nagoya Atomistic-simulation Package (NAP). Why don't you take a NAP? ;)☆23Updated this week
- Julia codes to play with Phonons☆24Nov 7, 2018Updated 7 years ago
- Point symmetry analysis tool for theoretical chemistry objects☆21Dec 2, 2025Updated 3 months ago
- ☆11Nov 10, 2020Updated 5 years ago
- Electronic structure code using G0W0 and GW0 calculations for realistic materials☆11Aug 24, 2020Updated 5 years ago
- from linearized augmented plane waves to maximally localized Wannier functions☆12Dec 23, 2016Updated 9 years ago
- A Fortran90 program for unfolding phonon dispersions☆11Jun 12, 2020Updated 5 years ago
- classical density-functional theory☆32Jul 26, 2022Updated 3 years ago
- A general linear model for microkinetic catalytic systems.☆10Feb 8, 2023Updated 3 years ago
- Julia package for the quantum cluster theories in condensed matter physics, including cluster perturbation theory (CPT), variational clus…☆11Sep 23, 2022Updated 3 years ago
- Finite-temperature variational Monte Carlo calculation of uniform electron gas using neural canonical transformation.☆16Jun 17, 2023Updated 2 years ago
- ☆12Feb 28, 2020Updated 6 years ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆12Oct 7, 2019Updated 6 years ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Occupation matrix control modification VASP☆53Sep 11, 2019Updated 6 years ago
- A GUI program for plotting Minimal energy path on potential energy surface.☆42Jan 18, 2021Updated 5 years ago
- ☆11Mar 13, 2021Updated 5 years ago
- Abinitio Dynamical Vertex Approximation☆15Dec 17, 2019Updated 6 years ago