Noncollinear Magnetic Tight Binding code

Created on Sunday April 12, 2015

@author: Andrew Horsfield, Marc Coury and Max Boleininger

This is the main program for computing the eigenvalues and eigenfunctions for a noncollinear tight binding model chosen in the JobDef.json file. The input file can be given a different name, but it must be specified when running this programme. To run the programme from the commandline type:

./TB.py specificationfile.json or python TB.py specificationfile.json

where "specificationfile.json" can be any name as long as it's a json file.

Currently this programme works with Python 2.7.5.

Units used are: Length -- Angstroms Energy -- eV

To alter the system being simulated you can do one of the following:

• Alter settings in the specification file. See the example, JobDef.json.
• Alter the parameters of the canonical, exponential or hydrocarbon tight binding model: change the corresponding json file in the models folder.
• Change the tight binding model being used: Add a json and a py file to the models folder, following the example of the files currently present.