warda-rahim

Pinned Repositories

• convtest

  A simple code for plane wave cutoff and kmesh convergence test

  Language:Python41

• fromage

  Framework for Molecular Aggregate Excitation

  Language:Python00

• ModeMapPlotter

  A tool for plotting one-dimensional and two-dimensional potential energy surfaces along phonon modes.

  Language:Python20

• phononplotter

  A tool for plotting phonon dispersion curves and phonon density of states.

  Language:Python114

• sumo

  Heavyweight plotting tools for ab initio calculations

  Language:Python00

• ThermoPlotter

  A tool for making data analysis and plotting scripts for thermoelectrics codes used in computational materials science.

  Language:Python00

• articles

  Language:Jupyter Notebook82

• scripts-compchem

  A set of scripts I have written for dealing with computational chemistry data from phonopy, phono3py, boltztrap, etc. packages.

  Language:Python72

warda-rahim's Repositories