Skip to content

Commit

Permalink
deploy: c092ea7
Browse files Browse the repository at this point in the history
  • Loading branch information
jkshenton committed Sep 18, 2024
1 parent e4c4ff8 commit dd4705b
Show file tree
Hide file tree
Showing 3 changed files with 2 additions and 2 deletions.
2 changes: 1 addition & 1 deletion search/search_index.json

Large diffs are not rendered by default.

Binary file modified sitemap.xml.gz
Binary file not shown.
2 changes: 1 addition & 1 deletion workshop/03_geometry/index.html
Original file line number Diff line number Diff line change
Expand Up @@ -3034,7 +3034,7 @@ <h4 id="a-functional-choice">A. Functional Choice</h4>
<p>So far you've used the local density approximation (LDA) for the exchange-correlation functional in this exercise. Repeat your calculation with the <code>PBE</code> exchange-correlation functional (a popular GGA):</p>
<ul>
<li><code>xc_functional : PBE</code></li>
<li>You may also want to consider a hybrid functional such as <code>HSE06</code> or the meta-GGA <code>RSCAN</code></li>
<li>You may also want to consider a hybrid functional such as <code>HSE06</code> (though if you do this you will want to <a href="../../documentation/Pseudopotentials/overview/">use norm-conserving pseudopotentials</a>) or the meta-GGA <code>RSCAN</code></li>
</ul>
<h4 id="b-more-precise-structural-optimisations">B. More Precise Structural Optimisations</h4>
<p>You may wish to have more precise structure for certain calculations such as <code>NMR</code> or <code>Phonons</code>. These may be controlled in the <code>.param</code> file with</p>
Expand Down

0 comments on commit dd4705b

Please sign in to comment.