GOPlotBands

is an option to control the calculation of energy bands in the Brillouin zone.

Details and Options

  • GTBands is used to calculate a band structures, the energy eigenvalues at single k-points or the energy eigenvalues on a mesh in the Brillouin zone for density of state calculations.
  • Typical values for GOPlotBands are:
  • Truek-points along symmetry lines are used (see GTBZLines)
    Falsea list of k-points or k-points on a mesh of the Brillouin zone (see GTBZPointMesh) are used

Examples

Basic Examples  (1)

First load the package:

In[1]:=1
✖
https://wolfram.com/xid/0dox9vhkrxqau8ax11q4k-munith
In[2]:=2
✖
https://wolfram.com/xid/0dox9vhkrxqau8ax11q4k-0di2mh

The bands are calculated along a standard path with only a few points.

In[3]:=3
✖
https://wolfram.com/xid/0dox9vhkrxqau8ax11q4k-8h80io
In[4]:=4
✖
https://wolfram.com/xid/0dox9vhkrxqau8ax11q4k-t4lzhy
Out[4]=4

With GOPlotBands False a list of single k-points can be provided.

In[5]:=5
✖
https://wolfram.com/xid/0dox9vhkrxqau8ax11q4k-p0b9ko
Out[5]=5

Calculate the bands for the calculation of density of states.

In[6]:=6
✖
https://wolfram.com/xid/0dox9vhkrxqau8ax11q4k-yti2v0
In[7]:=7
✖
https://wolfram.com/xid/0dox9vhkrxqau8ax11q4k-emexm6