Fix def2-SVP basis for hydrogen

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
cp2k · Apr 22, 2020 · d7638b7 · d7638b7
1 parent 165fdc2
commit d7638b7
Showing 1 changed file with 8 additions and 6 deletions.
diff --git a/data/EMSL_BASIS_SETS b/data/EMSL_BASIS_SETS
@@ -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