Overview

• DFTB+ Calculation

  • H2O system

  • HB system

  • HB sheet system - parallelized

• GOFEE Calculation

  • C6H6 system

  • C6H6 system - parallelized

  • C6H6 system - multirun

• GOFEE with DFTB+ Usage

  • C6H6 system

  • HB system

  • Ti5O10 system