Calculators

There are currently four calculators that comply with the ASE interfaces:

Effective Medium Theory code
A planewave ultra-soft pseudopotential code.
Grid-based real-space PAW code.
The Molecular Modeling Toolkit.
Density-functional method for very large systems with LCAO basis sets.

ase2: Calculators (last edited 2010-10-20 09:11:16 by localhost)