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Artificial

This page gives hints on how to perform some artificial modifications of the physics with the ABINIT package.

Introduction

With a computer, one can consider non-physical modifications of the system to help the understanding the physics.

The nuclear masses and free electron mass can be modified. A fake space dependent chemical potenial can be added, see chempot, as well as the electrostatic potential of a slab, jellslab. A simple sine/cosine potential with a wavevector compatible with the (super)call can also be added, see qprtrb.

basic:

  • amu Atomic Mass Units

useful:

  • qprtrb Q-wavevector of the PERTurbation
  • vprtrb potential -V- for the PeRTuRBation

expert:

  • chempot spatially varying CHEMical POTential
  • effmass_free EFFective MASS for the FREE electron
  • jellslab include a JELLium SLAB in the cell
  • nzchempot Number of Z reduced coordinates that define the spatial CHEMical POTential
  • slabwsrad jellium SLAB Wigner-Seitz RADius
  • slabzbeg jellium SLAB BEGinning edge along the z-direction
  • slabzend jellium SLAB ENDing edge along the z-direction

Selected Input Files

v1: