MineralsCloud / cijLinks
Semiemperical quasiharmonic thermal elasticity
☆20Updated last year
Alternatives and similar repositories for cij
Users that are interested in cij 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 3 months ago
- Embedding module for VASP and tools for its use.☆9Updated 4 months ago
- Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)☆13Updated this week
- A phonon irreducible representations calculator☆21Updated last year
- Personal collection of scripts to handle FHI-aims calculations.☆11Updated last year
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆13Updated 3 years ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Updated 5 years ago
- 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
- Julia codes to play with Phonons☆24Updated 6 years ago
- Point symmetry analysis tool for theoretical chemistry objects☆20Updated 4 months ago
- A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations☆30Updated last week
- D3Q + thermal2☆26Updated last month
- Tutorial for Wannier2022☆16Updated 2 months ago
- Codes for preparing/postprocessing CP2K input/output files☆9Updated 3 years ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆15Updated last year
- Calculate thermodynamic properties of matter using phonon gas model (PGM)☆16Updated last year
- Python library for computing electron-phonon renormalizations from finite displacements☆10Updated 6 months ago
- Calculating electron-phonon couplings with DFTB.☆10Updated this week
- Tutorial files for alamode☆13Updated 11 months ago
- ☆12Updated 5 months ago
- Draft for my book about implementing density functional theory☆19Updated 3 months ago
- A python project for quasi-harmonic properties calculations☆9Updated 7 years ago
- ☆13Updated 7 years ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆13Updated 3 weeks ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Updated 2 years ago
- A general parser for VASP☆13Updated this week
- ☆20Updated last year