jxzhangcc / PIOLinks
Principal Interacting Orbital
☆16Updated 3 years ago
Alternatives and similar repositories for PIO
Users that are interested in PIO are comparing it to the libraries listed below
Sorting:
- Creating elastic structures using LAMMPS☆12Updated 2 years ago
- Computes the dark matter-phonon scattering rate for a general scattering potential.☆12Updated 2 years ago
- A library for symmetry operations and linear interpolation within an irreducible part of the first Brillouin zone.☆17Updated 2 months ago
- WanTiBEXOS code repository☆15Updated 3 weeks ago
- A Fortran90 program for unfolding phonon dispersions☆11Updated 5 years ago
- ☆14Updated 5 months ago
- ☆14Updated 2 years ago
- Set of Kohn-Sham DFT inputs (CASTEP format) for which the SCF iterations are difficult to converge☆13Updated 6 years ago
- Interfacial heat conductance☆13Updated last year
- Python code for solving the tight-binding mean field Hubbard hamiltonian☆13Updated 2 years ago
- Electro-Chemical Optimizer☆12Updated 9 months ago
- Projected Electronic Bands in Quantum Espresso☆15Updated 2 months ago
- Calculating electron-phonon couplings with DFTB.☆10Updated 2 weeks ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆18Updated last month
- Matplotlib wrapper for WIEN2k post-processing☆12Updated last year
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated 7 months ago
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆15Updated 2 months ago
- The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem☆14Updated 4 years ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Updated 5 months ago
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Updated 11 months ago
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆15Updated 5 years ago
- Code for the Selected Columns of the Density Matrix suite of algorithms☆13Updated 7 years ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Updated 6 years ago
- ☆11Updated 5 years ago
- This package contains a few programs to study band topology based on the Wannier tight-binding model.☆11Updated 4 years ago
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Updated 2 years ago
- AiiDA plugin for the Wannier90 code☆12Updated last year
- Effective mass calculation with DFT☆17Updated last year
- A python package of utils for DFT, Tight binding, etc.☆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 week