From c092ea712eb74276b495d08b84ec07f76a517d6a Mon Sep 17 00:00:00 2001 From: Kane Shenton Date: Wed, 18 Sep 2024 10:26:41 +0100 Subject: [PATCH] Note about NCP for HSE06 in geom tutorial --- docs/workshop/03_geometry.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/workshop/03_geometry.md b/docs/workshop/03_geometry.md index 10c8567..61d074d 100644 --- a/docs/workshop/03_geometry.md +++ b/docs/workshop/03_geometry.md @@ -105,7 +105,7 @@ You may wish to split these between groups and discuss the results So far you've used the local density approximation (LDA) for the exchange-correlation functional in this exercise. Repeat your calculation with the `PBE` exchange-correlation functional (a popular GGA): * ``xc_functional : PBE`` -* You may also want to consider a hybrid functional such as `HSE06` or the meta-GGA `RSCAN` +* You may also want to consider a hybrid functional such as `HSE06` (though if you do this you will want to [use norm-conserving pseudopotentials](../documentation/Pseudopotentials/overview.md)) or the meta-GGA `RSCAN` #### B. More Precise Structural Optimisations