nanoqm
stable

Introduction

  • nano-qmflows
  • Theory

Tutorials

  • Introduction to the Tutorials
  • Single points calculation
  • Crystal Orbital Overlap Population (COOP) calculation
  • Inverse Participation Ratio (IPR) calculation
  • Derivative coupling calculation
  • Absorption Spectrum
  • Distribute Absorption Spectrum

Library Documentation

  • Command line interface
  • CP2K Interface
  • Derivative Couplings
  • Molecular Orbitals
  • Integrals
  • Workflows
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© Copyright 2016-2023, Felipe Zapata and Ivan Infante. Revision 522f8e0d.

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