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new example in README
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freude committed Jul 27, 2020
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Expand Up @@ -79,7 +79,20 @@ Below is a short example demonstrating usage of the `tb` package.
More illustrative examples can be found in the ipython notebooks
in the directory `jupyter_notebooks` inside the source directory.

If the package is properly installed, the work starts with the import of all necessary modules:
Below we demonstrate band structure computation for a nanoribbon with four
atoms per unit cell:

<pre>
--A--
|
--A--
|
--A--
|
--A--
</pre>

0. If the package is properly installed, the work starts with the import of all necessary modules:

```python
import numpy as np
Expand All @@ -88,9 +101,6 @@ import nanonet.tb as tb
from nanonet.negf.recursive_greens_functions import recursive_gf
from nanonet.negf.greens_functions import surface_greens_function
```

Below we demonstrate band structure computation for a nanoribbon with four
atoms per unit cell:

1. First, one needs to specify atomic species and corresponding basis sets. We assume that each atom has one s-type atomic orbital with energy -1 eV. It is also possible to use predefined basis sets as
is shown in examples in the ipython notebooks.
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