GROUP THEORY SYMBOL

GTTbDatabaseUpdate

GTTbDatabaseUpdate[database]
reads the database, adds a new parameter set and stores the database.

DetailsDetails

  • The input of the new parameter set is done interactively. Step by step the following information will be asked:
  • 1. Name of the element or compound
  • 2. Crystal structure
  • 3. Authors
  • 4. Reference
  • 5. Form of input of the parameters:
        - from the keyboard or
        - from a file
  • 6. If the parameters are read from a file, the file name is asked, otherwise the parameters have to put in manually. The names of the parameters are shown.
  • 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 9.4

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

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A copy of the tight parameter sets from TB_Handbook.parm will be used for the test of GTTbDatabaseUpdate.

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Here is an example data set to try the interactive input. Be careful. The application might crash, if you do not go through all the input windows step by step. Please use "string" and {list}, if asked.

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Use "SiNew" for your input of data

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Test if the new data set is member of the database.

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Now check again if the new dataset is correctly installed:.

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