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👌 IMPROVE: "Running calculations - Basics" module #355

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mbercx opened this issue Jun 12, 2021 · 1 comment · Fixed by #366
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👌 IMPROVE: "Running calculations - Basics" module #355

mbercx opened this issue Jun 12, 2021 · 1 comment · Fixed by #366
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@ramirezfranciscof
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priority/mission-critical Needs to be fixed (before next event) section/running-calculations Sections on running calculations and workflows type/improve Improving already existing content

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@mbercx
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mbercx commented Jun 12, 2021

Continuing from the AiiDA Basics in the "Fundamentals" section, the first thing we want the participants to do is to run their own Quantum ESPRESSO calculation using AiiDA, so they can understand more about:

  • How to import a structure
  • How to set up a code
  • How to install pseudopotentials
  • How to set up inputs for a calculation
  • How to analyse outputs of a calculation

This section will be largely based on the one used for the BIGMAP/ABC/QEschool tutorials, but could do with a quick revision.
@mbercx mbercx added type/improve Improving already existing content section/running-calculations Sections on running calculations and workflows priority/mission-critical Needs to be fixed (before next event) labels Jun 12, 2021
@ramirezfranciscof ramirezfranciscof mentioned this issue Jun 29, 2021
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@ramirezfranciscof ramirezfranciscof linked a pull request Jun 30, 2021 that will close this issue
👌 IMPROVE: Calculation processes - Running external codes #366
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@ltalirz
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ltalirz commented Jan 31, 2022

Closed in #366

@ltalirz ltalirz closed this as completed Jan 31, 2022
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👌 IMPROVE: Calculation processes - Running external codes
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@ltalirz @ramirezfranciscof @mbercx