EACcodes / VASPEmbeddingLinks
Embedding module for VASP and tools for its use.
☆9Updated 4 months ago
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☆19Updated 2 years ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆16Updated 2 months ago
- ☆20Updated last year
- Pythonic electronic structure theory.☆17Updated 3 weeks ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Updated 5 years ago
- Tutorial files for alamode☆12Updated 10 months ago
- A python project for quasi-harmonic properties calculations☆9Updated 7 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆18Updated last week
- D3Q + thermal2☆26Updated 2 weeks ago
- ☆19Updated 6 months ago
- Codes for preparing/postprocessing CP2K input/output files☆9Updated 3 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem☆14Updated 4 years ago
- Electro-Chemical Optimizer☆11Updated 2 months ago
- decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations☆11Updated 7 months ago
- GMTKN test sets in python☆11Updated 3 years ago
- FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital i…☆17Updated 7 months ago
- Point symmetry analysis tool for theoretical chemistry objects☆20Updated 3 months ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated last month
- PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulat…☆15Updated 6 years ago
- ☆11Updated 5 years ago
- Quick tools for materials chemistry☆17Updated last year
- Semiemperical quasiharmonic thermal elasticity☆20Updated last year
- A general parser for VASP☆13Updated 2 weeks ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator