MineralsCloud / phq
phq: a Fortran code to compute phonon quasiparticle properties and dispersions
☆13Updated 5 years ago
Alternatives and similar repositories for phq:
Users that are interested in phq are comparing it to the libraries listed below
- SPMS table of pseudopotentials☆19Updated 2 years ago
- Calculate thermodynamic properties of matter using phonon gas model (PGM)☆15Updated last year
- A python project for quasi-harmonic properties calculations☆9Updated 6 years ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆11Updated 3 weeks ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 4 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆17Updated 2 weeks ago
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆17Updated this week
- ☆18Updated last month
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆11Updated 2 months ago
- Julia codes to play with Phonons☆23Updated 6 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆13Updated 2 years ago
- python workflow for GW-BSE calculation☆25Updated last year
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆19Updated 4 years ago
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Updated 3 years ago
- WEST code☆19Updated 3 months ago
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆24Updated 11 months ago
- Python scripts to calculate thermoelectric properties by using NEGF method in OpenMX code (http://www.openmx-square.org/).☆8Updated 6 years ago
- D3Q + thermal2☆25Updated this week
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆17Updated 4 years ago
- Tutorial files for alamode☆12Updated 6 months ago
- A Fortran90 program for unfolding phonon dispersions☆10Updated 4 years ago
- TDEP Tutorials☆24Updated 2 months ago
- Draft for my book about implementing density functional theory☆18Updated 2 weeks ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆12Updated 3 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆13Updated last year
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆22Updated last year
- DFT simulation of He atom☆12Updated 3 years ago
- ☆15Updated 6 months ago
- A play ground for PythTb, Kwant, Pybinding and Wannier90 👾, and MORE☆12Updated 5 years ago
- Interfacial Phonon code☆25Updated 2 years ago