Polar Shift

Table of Contents

USER GUIDE

  • Introduction
  • Installation
  • Basic usage

CONFIGURATION FILE REFERENCE

About the reference

  • Notation
  • File specifications
  • Index specifications
  • Element and atomtype specifications
  • Program units

List of configuration commands

  • system
  • cell
  • coordinates
  • charge
  • polarizability
  • electrostatics
  • induction
  • post_processing
  • elements
  • atomtypes
  • states
  • units
  • verbosity
  • neighbor_list
  • task
  • dryrun

EXAMPLES

  • About the examples
  • example01
  • example02
  • example03
  • example04
  • example05
  • example06
  • example07
  • example08
  • example09
  • example10
  • example11
  • example12
  • example13
  • example14
  • example15
  • example16
  • example17
  • example18
  • example19
  • example20
  • example21
  • example22
Polar Shift
Docs ยป home

1.0

Charge Carrier Polarization Energies in Organic Electronic Materials
10.1016/j.cpc.2025.109700

K. Kaklamanis, D.G. Papageorgiou
Computational Materials Science Laboratory
Dept. of Materials Science and Engineering
University of Ioannina, Greece

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