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castep-docs · Sep 17, 2024 · e4c4ff8 · e4c4ff8
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diff --git a/search/search_index.json b/search/search_index.json
diff --git a/workshop/04_nmr_shiedling_efg/index.html b/workshop/04_nmr_shiedling_efg/index.html
@@ -3039,7 +3039,7 @@ <h2 id="part-1">Part 1</h2>
 <a id="__codelineno-0-20" name="__codelineno-0-20" href="#__codelineno-0-20"></a>%ENDBLOCK KPOINTS_LIST
 </code></pre></div></p>
 <p><em>ethanol.param</em> <a name ="ethanol.param"></a>
-<div class="highlight"><pre><span></span><code><a id="__codelineno-1-1" name="__codelineno-1-1" href="#__codelineno-1-1"></a>xcfunctional    = PBE
+<div class="highlight"><pre><span></span><code><a id="__codelineno-1-1" name="__codelineno-1-1" href="#__codelineno-1-1"></a>xc_functional   = PBE
 <a id="__codelineno-1-2" name="__codelineno-1-2" href="#__codelineno-1-2"></a>fix_occupancy   = true
 <a id="__codelineno-1-3" name="__codelineno-1-3" href="#__codelineno-1-3"></a>opt_strategy    = speed
 <a id="__codelineno-1-4" name="__codelineno-1-4" href="#__codelineno-1-4"></a>task            = magres
@@ -3147,7 +3147,7 @@ <h3 id="example-2-diamond">Example 2 - Diamond</h3>
 * diamond.param</p>
 <div class="highlight"><pre><span></span><code><a id="__codelineno-5-1" name="__codelineno-5-1" href="#__codelineno-5-1"></a>comment         = nmr testing
 <a id="__codelineno-5-2" name="__codelineno-5-2" href="#__codelineno-5-2"></a>iprint          = 1
-<a id="__codelineno-5-3" name="__codelineno-5-3" href="#__codelineno-5-3"></a>xcfunctional = LDA
+<a id="__codelineno-5-3" name="__codelineno-5-3" href="#__codelineno-5-3"></a>xc_functional = LDA
 <a id="__codelineno-5-4" name="__codelineno-5-4" href="#__codelineno-5-4"></a>task : magres
 <a id="__codelineno-5-5" name="__codelineno-5-5" href="#__codelineno-5-5"></a>fix_occupancy = true
 <a id="__codelineno-5-6" name="__codelineno-5-6" href="#__codelineno-5-6"></a>opt_strategy : speed