mauropalumbo75 / pyqha
A python project for quasi-harmonic properties calculations
☆9Updated 6 years ago
Alternatives and similar repositories for pyqha:
Users that are interested in pyqha are comparing it to the libraries listed below
- Builds 2D heterostructures via coincidence lattice theory.☆13Updated last year
- Python scripts to calculate thermoelectric properties by using NEGF method in OpenMX code (http://www.openmx-square.org/).☆8Updated 6 years 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
- Tutorial files for alamode☆12Updated 6 months ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆13Updated 5 years ago
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Updated 3 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆15Updated last month
- Visualizations☆13Updated 3 years ago
- Python version ofthe BandUP code☆21Updated 4 months ago
- Interfacial heat conductance☆12Updated 5 months ago
- Vizualisation of Atomic Contributions to Phonon Modes☆10Updated 3 months ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- Projected Electronic Bands in Quantum Espresso☆14Updated last year
- Construct phonon tight-binding model and calculate its topological properties☆24Updated 5 years ago
- A play ground for PythTb, Kwant, Pybinding and Wannier90 👾, and MORE☆12Updated 5 years ago
- TDEP Tutorials☆24Updated 2 months ago
- Collective atomic modulation analysis with irreducible space-group representation☆15Updated this week
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆19Updated 4 years ago
- Restructure single parabolic band(SPB) model used for thermoelectricity☆7Updated 3 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆13Updated 3 years ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆11Updated this week
- Python Processing Tool for Vasp Ipnut/Output☆13Updated last year
- Calculate 3rd order elastic constant.☆13Updated 3 years ago
- A Fortran90 program for unfolding phonon dispersions☆10Updated 4 years ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆13Updated last year
- A python package of utils for DFT, Tight binding, etc.☆16Updated 8 months ago
- A general parser for VASP☆13Updated last week
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 4 years ago
- Tutorial for Wannier2022☆14Updated 2 months ago
- ☆18Updated 2 months ago