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1. CP2K-files CP2K-files Public

   Files and utilities relevant to the CP2K density functional theory code.

   Python

2. Geometry-Utilities Geometry-Utilities Public

   Files for analyzing molecular geometries.

   Python 1

3. Other-Files Other-Files Public

   Misc files and utilities we've developed.

   Python 3 3

4. Modeling-Polarons Modeling-Polarons Public

   A description of how to model polarons using electronic structure methods like DFT.

   2

5. Structure-Files Structure-Files Public

   Geometries and structures from various publications from the Deskins' group.

   1 2

6. VASP-files VASP-files Public

   Files and utilities relevant to the VASP density functional theory code.