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Patch Ce-q12

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svn-origin-rev: 17233
This commit is contained in:
Matthias Krack 2016-08-11 13:19:45 +00:00
parent 13afb06c8e
commit 00f2238374
2 changed files with 14 additions and 14 deletions
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14
data/GTH_POTENTIALS
View file

@ -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

14
data/POTENTIAL
View file

@ -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