phq: a Fortran code to compute phonon quasiparticle properties and dispersions
☆16Sep 5, 2026Updated last month
Alternatives and similar repositories for phq
Users that are interested in phq are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Semiemperical quasiharmonic thermal elasticity☆22Dec 10, 2025Updated 10 months ago
- A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations☆32Aug 4, 2026Updated 2 months ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 4 years ago
- Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community☆28Jun 19, 2026Updated 4 months ago
- Electronic structure code using G0W0 and GW0 calculations for realistic materials☆11Aug 24, 2020Updated 6 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Calculate thermodynamic properties of matter using phonon gas model (PGM)☆17Sep 6, 2023Updated 3 years ago
- High performance Brillouin Zone Meshes☆11May 15, 2024Updated 2 years ago
- Finite-temperature variational Monte Carlo calculation of uniform electron gas using neural canonical transformation.☆16Jun 17, 2023Updated 3 years ago
- DMFT with CTQMC. The Dynamical Mean Field Theory (DMFT) with the continuous-time auxiliary-field Quantum Monte Carlo method with Julia 1.…☆20Aug 9, 2018Updated 8 years ago
- Phonon anharmonicity analysis from molecular dynamics☆143Updated this week
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆21Jul 18, 2020Updated 6 years ago
- Haule's Repository for combination of Density Functional Theory and Embedded Dynamical Mean Field Theory implementation (Python 2.7 vers…☆16Apr 1, 2024Updated 2 years ago
- Post-processing of electron-phonon coupling calculations from Abinit☆16Jan 6, 2021Updated 5 years ago
- A Julia wrapper for the spglib C-API☆25Jun 22, 2026Updated 4 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- TPRF: The Two-Particle Response Function tool box for TRIQS. Supported by the Flatiron Institute.☆22Aug 20, 2026Updated 2 months ago
- Modified fork of Ju Li's atomistic configuration viewer (http://li.mit.edu/Archive/Graphics/A/)☆32Mar 16, 2017Updated 9 years ago
- A versatile Gutzwiller solver to optimize the single Slater determinant and local many-body degrees of freedom simultaneously within the …☆16Mar 19, 2020Updated 6 years ago
- Compact Spectral Representation for Imaginary-time/Matsubara-frequency Green's Functions☆22Jan 17, 2026Updated 9 months ago
- Tutorial notebook for symmetry features in ASE☆27Nov 21, 2019Updated 6 years ago
- FLAME: a library for atomistic modeling environments☆26Feb 21, 2025Updated last year
- Postprocess the phonon spectra, phonon dos, atomic participation rate, mean square displacement, scattering rate, and energy cumulative …☆12Feb 27, 2021Updated 5 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Feb 17, 2023Updated 3 years ago
- Library for discrete Lehmann representation of imaginary time Green's functions☆22Jan 26, 2026Updated 9 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Embedding module for VASP and tools for its use.☆11Jul 1, 2026Updated 4 months ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using MPI pa…☆11Jun 16, 2021Updated 5 years ago
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- Continous time hybridization expansion quantum Monte Carlo in Julia☆14Oct 7, 2022Updated 4 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆24Jun 23, 2020Updated 6 years ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆29Jun 19, 2023Updated 3 years ago
- Calculating thermal conductivity based on the dump of MD simulation☆11Dec 16, 2025Updated 10 months ago
- Python library for advanced atomistic simulations☆23Sep 21, 2017Updated 9 years ago
- A Python Package to Automate Thermodynamic Integration Calculations for Free Energy☆44Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A c++ library for Numerical renormalization group (NRG)☆15Oct 25, 2026Updated last week
- The TurboGAP code☆22Updated this week
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆29May 13, 2026Updated 5 months ago
- PRinceton Orbital-Free Electronic Structure Software☆29Jul 19, 2020Updated 6 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago
- ☆11Nov 10, 2020Updated 5 years ago
- Interfacial Phonon code☆30Jul 31, 2022Updated 4 years ago