diff --git a/data/GTH_POTENTIALS b/data/GTH_POTENTIALS index 50cc811a6a..2164779287 100644 --- a/data/GTH_POTENTIALS +++ b/data/GTH_POTENTIALS @@ -3135,14 +3135,14 @@ La GTH-PBE-q11 # Ce GTH-PBE-q12 4 6 1 1 - 0.52806012 2 19.06539975 -0.57956787 + 0.52480035 2 18.46313266 -0.35928475 4 - 0.52313782 2 -0.54247717 1.70144329 - -2.19655384 - 0.45838306 2 -0.94635095 2.02233687 - -2.39286125 - 0.68344091 1 0.09872593 - 0.30390874 1 -17.55120200 + 0.52899318 2 -0.46945550 1.68519941 + -2.17558308 + 0.47758674 2 -0.85915259 1.49893178 + -1.77356000 + 0.65909303 1 0.10742047 + 0.30186583 1 -17.66735258 # Ce GTH-PBE-q30 6 12 11 1 diff --git a/data/POTENTIAL b/data/POTENTIAL index e236ab5e83..9b851d976c 100644 --- a/data/POTENTIAL +++ b/data/POTENTIAL @@ -3135,14 +3135,14 @@ La GTH-PBE-q11 # Ce GTH-PBE-q12 4 6 1 1 - 0.52806012 2 19.06539975 -0.57956787 + 0.52480035 2 18.46313266 -0.35928475 4 - 0.52313782 2 -0.54247717 1.70144329 - -2.19655384 - 0.45838306 2 -0.94635095 2.02233687 - -2.39286125 - 0.68344091 1 0.09872593 - 0.30390874 1 -17.55120200 + 0.52899318 2 -0.46945550 1.68519941 + -2.17558308 + 0.47758674 2 -0.85915259 1.49893178 + -1.77356000 + 0.65909303 1 0.10742047 + 0.30186583 1 -17.66735258 # Ce GTH-PBE-q30 6 12 11 1