This page gives hints on how to perform some artificial modifications of the physics with the ABINIT package.
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.
Related Input Variables¶
- amu Atomic Mass Units
- 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¶