GROUP THEORY SYMBOL

GTPwPrintParmSet

GTPwPrintParmSet[database,information]
prints the parameter set form a pseudopotential database.

DetailsDetails

  • To get an overview of the pseudopotential parameters defined in a parameter set GTPwPrintParmSet can be used. The parameter information can either be the name of the data set or the index of the GTPwDatabaseInfo list.
  • The database has to have the extension ".parm".
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 9.5.

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

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Call the corresponding database with the data set to print:

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Print the corresponding parameter set via name ...

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... or via index.

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