GROUP THEORY SYMBOL

GOPlotDos

GOPlotDos
is an option to decide if the density of states, the integrated density of states or partial densities of states, or all will be presented.

DetailsDetails

  • GOPlotDos is used to determine the graphical output. Often the density of states is the only interesting information. If the Fermi energy should be calculated, one has to calculate the integrated density of states before. Therefore it could be interesting to show both results in one plot, or the integrated density of states alone.
  • Another interesting option is to calculate so called partial density of states, i.e. states belonging to s, p, d, eg or t2g states.
  • Typical settings for GOPlotDos are:
  • "DOS"Plots density of states.
    "IDOS"Plots integrated density of states.
    "ALL"Plots density of states, integrated density of states.and partial density of states
    "PDOS"Plots partial densities of states
  • This option is used by: GTDensityOfStates bullet GTDensityOfStatesPlot bullet GTDensityOfStatesRS bullet GTPartialDOS
  • The package TwoAxisListPlot.m of Mike Honeychurch is used for the case ALL (see: http://library.wolfram.com/infocenter/MathSource/7507/)
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ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

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The DOS of Cu is used as an example. Read and parametrize the Hamiltonian.

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The option will be demonstrated for GTPartialDOS. It works in a similar way for the other commands, but partial densities of states cannot be calculated.

The last item in the parameter list describes which partial densities of states are calculated.

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DOS

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PDOS

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ALL

In case of ALL the PlotLabel consists of two parts, one label for the DOS and IDOS and the over part for the partial DOS. PlotStyle is used to set the style in the DOS/IDOS plot. In the partial DOS plot this is done automatically.

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