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added OLYP O and H

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svn-origin-rev: 2181
This commit is contained in:
Joost VandeVondele 2004-03-07 10:09:01 +00:00
parent 0291a97338
commit d2f6f54c06
1 changed files with 18 additions and 0 deletions
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18
tests/QS/POTENTIAL
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@ -2179,3 +2179,21 @@ Zr GTH-PBE-q12
0.58124504 2 0.02781064 0.27686186
-0.31393184
#
#
################################################################################
#
# OLYP functional
#
################################################################################
#
H GTH-OLYP-q1
1
0.20000000 2 -4.16025705 0.71696182
0
#
O GTH-OLYP-q6
2 4
0.24340006 2 -16.34721549 2.41772603
2
0.22079018 1 18.31443918
0.22008988 0