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fixed example in README
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freude committed Jul 27, 2020
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5 changes: 2 additions & 3 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -134,14 +134,13 @@ atoms per unit cell:
A2 0.0 1.0 0.0
A3 0.0 2.0 0.0
A4 0.0 3.0 0.0
"""
"""
```
4. Make instance of the Hamiltonian class and specify periodic boundary conditions if any:
```python
h = tb.Hamiltonian(xyz=input_file, nn_distance=1.4)
h.initialize()
period = [0, 0, 1.0]
h.set_periodic_bc([period])
h.set_periodic_bc([[0, 0, 1.0]])
h_l, h_0, h_r = h.get_hamiltonians()
```

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