User Tutorial

This user tutorial will run through the examples that exist in the Environ module. These examples are set up to run via executing bash scripts. The context for these tests are given in the appropriate README file. The bash scripts contain explanations behind settings. A more verbose explanation, along with a guide on setting up jobs from scratch can be seen in this tutorial. It is assumed that the reader has some familiarity of Quantum Espresso and the setup of a pw input file. If this is not the case, one can refer to a brief overview: QE PW Input File.

• 1. Example: Solvation Energy (SCCS)
• 2. Example: Solvation Energy (SSCS)
• 3. Example: Isolated Systems
• 4. Example: Two-Dimensional Systems
• 5. Example: Charge Distributions
• 6. Example: Electrolyte Solutions