NEMO5 Tutorial 7: Using NEMO5 to Quantitatively Predict Topological Insulator Behaviour
NEMO5 Tutorial 7: Using NEMO5 to Quantitatively Predict Topological Insulator Behaviour
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1. Using NEMO5 to quantitatively …
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2. Some commonly known facts
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3. A dispersion cartoon
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4. What are these materials?
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5. Setting up the simulation task
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6. Details of the simulation stru…
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7. The NEMO5 input deck skeleton
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8. The NEMO5 input deck: The firs…
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9. Setting the input deck…
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10. Defining parameters and the do…
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11. Crystal orientation in NEMO5
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12. "crystal_direction" & "space_o…
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13. Reconciling results to known c…
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14. The actual geometry in numbers
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15. The NEMO5 input deck skeleton
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16. Executing the input deck: The …
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17. Electronic structure calculati…
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18. Electronic structure calculati…
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19. The NEMO5 input deck skeleton
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20. Putting it all together…
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21. Exercise -I
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22. What do you expect to see as a…
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23. Exercise –I contd…
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24. Inter-linking solvers in NEMO5
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25. NEMO5 is a toolbox….
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26. Setting up the Poisson…
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27. Linking Poisson to Schroedinge…
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28. A few options in the density s…
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29. Implementing boundary conditio…
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30. Updating Schrödinger for eige…
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31. Exercise -II
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32. What do you expect to see as a…
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33. Electrostatic calculations
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34. How do the results from Exerci…
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35. Self-consistent electrostatic …
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36. Conclusion
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