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Fix def2-SVP basis for hydrogen

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Polarization function was not included, i.e., def2-SV(P)

https://www.basissetexchange.org/basis/def2-sv(p)/format/cp2k/?version=1&elements=1
https://www.basissetexchange.org/basis/def2-svp/format/cp2k/?version=1&elements=1
This commit is contained in:
Eisuke Kawashima 2020-04-22 10:40:49 +09:00 • committed by Frederick Stein
parent 165fdc22a9
commit d7638b74c1
1 changed files with 8 additions and 6 deletions
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14
data/EMSL_BASIS_SETS
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@ -32657,17 +32657,19 @@ FE NASA-Ames-cc-pVTZ
#
# HYDROGEN
H Ahlrichs-def2-SVP
2
3
1 0 0 3 1
13.0107010 0.19682158E-01
1.9622572 0.13796524
0.44453796 0.47831935
13.0107010 0.19682158E-01
1.9622572 0.13796524
0.44453796 0.47831935
1 0 0 1 1
0.12194962 1.0000000
0.12194962 1.0000000
1 1 1 1 1
0.8000000 1.0000000
# HELIUM
He Ahlrichs-def2-SVP
3
1 0 0 3 1
1 0 0 3 1
38.354936737 0.23814288905E-01
5.7689081479 0.15490906777
1.2399407035 0.46998096633