GroupTheory`

GTTbParmImport

GTTbParmImport[file,parameter set] reads a tight-binding parameter set generated by means of SimPack from file using the parameter set to store the set in the correct GTPack format.

Details and Options

After fitting a TB model to band structure data the fitted parameters are stored in a file. The aim of this command is, to read this data set for further use in GTPack. Here it is necessary to recover the notation for the TB-parameters in GTPack. To achieve this, parameter set has to have exactly the same structure as the set in file.

The following option can be used:
GOVerbose False Controls the output of additional information.

GODecimals 5 Controls number of digits in table
See: Documentation of SimPack.

Examples

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Basic Examples (1)

First load the package:

Set the directory and read the database.

Print the parameter set of Cu from the database of TB parameters.

This data set can be exported by means of GTTbParmExport to a file to be used as a starting approximation for a fit. After the fit GTTbParmImport is used to import the result of the fit to GTPack.

The file "cu_f1_1.parm" contains a result from the fit with genetic algorithms.