Numpy and Matplotlib, as building them with setuptools can be troublesome. It is a good idea to also use this package manager to install apt, Homebrew), or Anaconda to install Python 3 with setuptools.

We recommend using your main package manager if possible Sumo is a Python 3 package and requires a VASP phonons are plotted from Phonopy output files Feature support for different codes ¶īrillouin-zone path can also be written for CASTEP phonon calculation Information on how to tweak the style of sumo plots is provided on theĬustomising Sumo Plots page. Sumo-bandstats: For calculating electron and hole effective masses Sumo-phonon-bandplot: For plotting publication-ready phonon band Sumo-optplot: For plotting publication-ready optical absorption Sumo-dosplot: For plotting publication-ready electronic density of Sumo-bandplot: For plotting publication-ready electronic band Sumo-kgen: For generating VASP KPOINTS files along high-symmetry Help ( -h) option for each command provides a summary of theĪ guide to using each command can be found on theįor a preview of the functionality of sumo, see the Tutorials and API documentation, is available online. Sumo is intended to be used via the command-line, however, aįully-documented python API is also provided. See the “contributing” section for informationĪbout reporting bugs and getting involved. Sumo is free to use, however, we ask that you cite the code if you use

Code contributions to interface with these packages

We would like to add support for additional solid-state codes inįuture releases. Partial support for CASTEP and for LMTO calculations with The code currently primarily supports VASP calculations, and has The Phonopy framework is supported for phonon band structures.Īnalysis scripts to calculate parabolic and non-parabolic band VASP calculations are imported using Pymatgen. Of states, and optical absorption diagrams. Plotting scripts for electronic and phonon band structures, density Publication-ready plotting (powered by Matplotlib.)Īn extensive framework for generating high-symmetry k-point paths.Ĭrystallographic spacegroups are determined using Spglib.Ĭonventional crystallographic paths are built in as well as interfaces to It is hoped that these command-line tools will bring some of theīenefits of these libraries to a wider user-base while providing Sumo is a Python toolkit for plotting and analysis of ab initioīuilt on existing Python packages from the solid-state

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