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Reshuffling of Wednesday sessions (SIESTA). #3

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Mar 12, 2024
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28 changes: 14 additions & 14 deletions content/day3/index.rst
Original file line number Diff line number Diff line change
Expand Up @@ -26,20 +26,6 @@ Tutorials covered:
Introductory slides available here: (TBA).


Convergence (k points, mesh, mixing)
------------------------------------

Practical session led by Dr. Catalina Coll (ICN2).

Tutorials covered:

- `The real-space grid <https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/basic/grid-convergence/index.html>`_
- `Sampling of the BZ with k-points <https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/basic/kpoint-convergence/index.html>`_
- `The self-consistent-field cycle <https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/basic/scf-convergence/index.html>`_

Introductory slides available here: (TBA).


Basis sets
----------

Expand All @@ -59,3 +45,17 @@ Tutorials covered:
- `Basis sets - Tips and tricks <https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/basic/basis-sets/index.html>`_

Introductory slides available here: (TBA).


Convergence (k points, mesh, mixing)
------------------------------------

Practical session led by Dr. Catalina Coll (ICN2).

Tutorials covered:

- `The real-space grid <https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/basic/grid-convergence/index.html>`_
- `Sampling of the BZ with k-points <https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/basic/kpoint-convergence/index.html>`_
- `The self-consistent-field cycle <https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/basic/scf-convergence/index.html>`_

Introductory slides available here: (TBA).
6 changes: 3 additions & 3 deletions content/index.rst
Original file line number Diff line number Diff line change
Expand Up @@ -184,11 +184,11 @@ Schedule
+------------+-------------------------------------------------------------------------------------+
|10:30-10:45 | Break |
+------------+-------------------------------------------------------------------------------------+
|10:45-11:30 | Hands-on tutorial: Convergence (k points, mesh, mixing) |
|10:45-11:15 | Basis sets |
+------------+-------------------------------------------------------------------------------------+
|11:30-12:00 | Basis sets |
|11:15-12:00 | Hands-on tutorial: Basis set optimization |
+------------+-------------------------------------------------------------------------------------+
|12:00-13:00 | Hands-on tutorial: Basis set optimization |
|12:00-13:00 | Hands-on tutorial: Convergence (k points, mesh, mixing) |
+------------+-------------------------------------------------------------------------------------+

**Day 4, SIESTA**
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