GROUP THEORY SYMBOL

GTPwDatabaseRetrieve

GTPwDatabaseRetrieve[database,information]
loads a pseudopotential parameter set from a given database.

DetailsDetails

  • The pseudopotential parameters are stored in databases to avoid the repeated input of the parameters for standard examples. The parameter information can either be the name of the data set or the index of the GTPwDatabaseInfo list.
  • The command selects a single parameter set from the database. The parameter sets are stored as lists. The form of the list depends on the kind of the pseudopotential.
  • 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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Retrieve the corresponding parameter set via name ...

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... or via index.

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