pyCADMium
Documentation
CADMium.kohnsham
ΒΆ
CONTENTS:
Installation
The Coordinate System
Symmetry Considerations
Discretization
Getting Started
Molecules in the PSgrid
Kohn-Sham calculation
API Documentation
CADMium Package
Functions
Classes
Class Inheritance Diagram
GRID EXAMPLES:
Generating a basic Grid
How to genererate pyCADMiums logo?
KOHN-SHAM DFT EXAMPLES:
CCCBDB LDA Energy: Etot -112.748985