GROUP THEORY SYMBOL

GTPwDatabaseInfo

GTPwDatabaseInfo[database]
gives information about the pseudopotential parameter sets available in database.

DetailsDetails

  • The pseudopotentials are stored in a database to avoid the input of the parameters for standard cases. It is a selection from different sources. The source is explicitly mentioned.
  • 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:

In[1]:=
Click for copyable input

Call the corresponding database with the dataset to print:

In[2]:=
Click for copyable input
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