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Merge pull request #286 from utf/update-dos
Update MgO DOS to match new Pymatgen smearing settings
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docs_rst/_static/MgO-dos.png

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docs_rst/running_workflows.rst

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@@ -192,8 +192,8 @@ Simply add the following Python script (``bs-analysis.py``) to your folder, **ch
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# Comment out the get_plot and uncomment save_plot if you have no GUI frontend to plot to.
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dos_plotter = DosPlotter()
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dos_plotter.add_dos_dict(complete_dos.get_element_dos())
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dos_plotter.get_plot(xlim=(-10, 10), ylim=(0, 0.1))
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#dos_plotter.save_plot('MgO-dos.pdf', img_format='pdf', xlim=(-10, 10), ylim=(0, 0.1))
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dos_plotter.get_plot(xlim=(-10, 10))
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#dos_plotter.save_plot('MgO-dos.pdf', img_format='pdf', xlim=(-10, 10))
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# print the Fermi energy and bandgap from the DOS:
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print('Fermi energy: {} eV'.format(complete_dos.efermi))

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