Fix xc_functional typo in nmr workshop tutorial

castep-docs · Sep 17, 2024 · 13b6218 · 13b6218
1 parent 1a31ef4
commit 13b6218
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/docs/workshop/04_nmr_shiedling_efg.md b/docs/workshop/04_nmr_shiedling_efg.md
@@ -43,7 +43,7 @@ O 5.746254 5.812705 5.6871
 
 *ethanol.param* <a name ="ethanol.param"></a>
 ```
-xcfunctional    = PBE
+xc_functional   = PBE
 fix_occupancy   = true
 opt_strategy    = speed
 task            = magres
@@ -164,7 +164,7 @@ symmetry_generate
 ```
 comment         = nmr testing
 iprint          = 1
-xcfunctional = LDA
+xc_functional = LDA
 task : magres
 fix_occupancy = true
 opt_strategy : speed