From 3d46332ecf09c5272b106dc577c379066bd2e285 Mon Sep 17 00:00:00 2001
From: Juerg Hutter <hutter@chem.uzh.ch>
Date: Thu, 25 Jun 2020 17:35:48 +0200
Subject: [PATCH] Adjust electronic configuration for Ce/Gd, used in initial
 guess only (#959)

* PW_HFX: add short range interaction potentials

* Refactoring of PW HFX routine

* Adjust PP valence electron settings for Ce and Gd
---
 data/LnPP1_POTENTIALS | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/data/LnPP1_POTENTIALS b/data/LnPP1_POTENTIALS
index 0775b25507..81a7eb0ece 100644
--- a/data/LnPP1_POTENTIALS
+++ b/data/LnPP1_POTENTIALS
@@ -30,7 +30,7 @@ La GTH-PBE-q11
 0.300352697 1 -18.352319697
 
 Ce GTH-PBE-q12
-4 6 0 2
+4 6 1 1
 0.539004680 2  18.85114190    -0.77960224
 4
 0.498081460 2   1.19529290     0.62204575
@@ -96,7 +96,7 @@ Eu GTH-PBE-q17
 0.278525768 1 -20.949306600
 
 Gd GTH-PBE-q18
-4 6 0 8
+4 6 1 7
 0.517500043 2  17.556643024   -0.667762780
 4
 0.462629406 2   1.481423675    1.139411985