Adsorber: A program for adsorbing molecules to clusters and surfaces.Logo
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  • Installation: Setting Up Adsorber and Pre-Requisites Packages
  • External Programs that will be useful to install for using Adsorber
  • Guide To Using Adsorber
  • Prelude 1: Run_Adsorber.py - Running Adsorber
  • Prelude 2: How to obtain some of the settings for the Run_Adsorber.py script
  • Part A: How to optimise your system initially
  • Part B: Adsorbing Adsorbates to your System
  • Part C.1: Preparing Selected Adsorbed Systems For VASP Optimisation
  • Part C.2: What To Do If Some Jobs Have Not Finished/Converged
  • Part D: Gathering Information from VASP Calculations
  • Index
  • Python Module Index
Adsorber: A program for adsorbing molecules to clusters and surfaces.
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© Copyright 2021, Dr. Geoffrey Weal and Dr. Anna Garden. Revision 0bf0ebbc.

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