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weilinscenccs committed Mar 3, 2024
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LESSON NAME
===========

Intro


EMTO best practices workshop
============================

.. prereq::

prerequisites



.. csv-table::
:widths: auto
:delim: ;
In case people would like to do some practices during the workshop with the installed emto excutables
you need to have access to one of these resource:

20 min ; :doc:`filename`
- Leonardo booster (CINECA, Italy).
- Tetralith (NSC, NAISS, Sweden).

All documented commands for the practices are tested on these clusters.

.. toctree::
:maxdepth: 1
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:maxdepth: 1
:caption: Reference

quick-reference
guide



.. _learner-personas:

Who is the course for?
----------------------

This course is for students, researchers, engineers who would like to get started with EMTO code using a HPC resource.
Basic knowledge of electronic structure theory and/or DFT calculations and using Linux will be required.

Schedule
--------

.. list-table::
:widths: 25 50
:header-rows: 1

* - Time
- Content
* - 10:00-10:30
- Introduction to ENCCS
* - 10:30-12:00
- EMTO lectures
* - 12:00-13:00
- Lunch break
* - 13:00-15:00
- Hands-on session (guided)
* - 15:00-17:00
- Hands-on session


About the course
----------------






See also
--------




- EMTO `website <emto.gitlab.io>`_
- EMTO `Manual <https://emto.gitlab.io/manual/manual.html>`_
- Book by Prof. Levente Vitos: `Computational Quantum Mechanics for Materials Engineers <https://link.springer.com/book/10.1007/978-1-84628-951-4>`_

Credits
-------
Expand All @@ -65,6 +69,17 @@ The lesson file structure and browsing layout is inspired by and derived from
<http://opensource.org/licenses/mit-license.html>`__. We have copied and adapted
most of their license text.

Use of EMTO code should follow the EMTO **license** `link <https://emto.gitlab.io/license.html>`_:

* **NO WARRANTY**: We are not responsible for any damage, defect or loss incurred as a result of operating the software.
* Only **non-commercial** use allowed.
* **CANNOT** redistribute source-code or its executable binaries.
* Can modify source-code but **CANNOT** redistribute modifications (derivative works, include its executable binaries).
* Parts of the software are provided under separate licenses, as follows:

* BLAS routines under the BLAS License (http://www.netlib.org/blas/#_licensing)
* LAPACK routines under the modified BSD license (http://www.netlib.org/lapack/LICENSE.txt)

Instructional Material
^^^^^^^^^^^^^^^^^^^^^^

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