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DZV -> SZV for Ba

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svn-origin-rev: 1859
This commit is contained in:
Matthias Krack 2003-12-06 18:11:37 +00:00
parent 31d8c607e2
commit 89b04fd541
1 changed files with 5 additions and 5 deletions
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10
tests/QS/BASIS_SET
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@ -3448,12 +3448,12 @@ Ti DZV-GTH-BLYP
# Z(eff) = 10
# E(ref) = -25.242058 a.u.
#
Ba DZV-GTH-BLYP
Ba SZV-GTH-BLYP
1
3 0 1 3 3 2
1.4209812500 -0.5031736249 -0.2251634082 0.0000000000 -0.1405229393 0.0000000000
0.3546440900 1.2590856152 0.8249457612 1.0000000000 1.0335378927 0.0000000000
0.0425115800 0.0618835363 -1.1709205133 0.0000000000 0.1096101386 1.0000000000
5 0 1 3 2 1
1.4209812500 -0.5031736249 -0.2251634082 -0.1405229393
0.3546440900 1.2590856152 0.8249457612 1.0335378927
0.0425115800 0.0618835363 -1.1709205133 0.1096101386
#
################################################################################
#