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* $Revision: 7.8 $
*performance test 912
*Responsible person: Roland Lindh
*Testing: SEWARD, DFT, ALASKA,Numerical_Gradient,SlapAf for H2O
*Runtime: about 12 min.
*-------------------------------------------------------------------------------
>>export MOLCAS_MOLDEN=OFF
>>export MOLCAS_NOCHECK=POTNUC,SEWARD_MLTPL1X,SEWARD_KINETIC,SEWARD_ATTRACT,DFT_ENERGY,NQ_DENSITY
>>>>> SET MAXITER 300 <<<<
>>>>>>>>>>>>>>>>>>> DO while <<<<<<<<<<<<<<<<<<<<
>>export MOLCAS_NOCHECK=POTNUC,SEWARD_MLTPL1X,SEWARD_KINETIC,SEWARD_ATTRACT
&SEWARD &END
Title
 The integrals Generated: Thu Feb 16 16:00:33 2006
Symmetry
X Y
Basis Set
H.cc-pVDZ.Dunning.4s1p.2s1p..
     H1             0.0000000000        1.5925423006        1.6830323005
End of Basis Set
Basis Set
O.cc-pVDZ.Dunning.9s4p1d.3s2p1d.
     O1             0.0000000000        0.0000000000        0.1272173990
End of Basis Set
End of Input
*-------------------------------------------------------------------------------
*&GuessOrb &End
*-------------------------------------------------------------------------------
>>export MOLCAS_NOCHECK=SCF_ITER,MLTPL,DFT_ENERGY,NQ_DENSITY,GRAD
 &SCF &End
Title
 The SCF part
Charge
 0
KSDFT
B3LYP5
End of Input
*-------------------------------------------------------------------------------
 &Alaska &End
Numerical
Delta
0.005
End of Input
*-------------------------------------------------------------------------------
 &SLAPAF &END
Iterations
10
MaxStep
0.5
End of input
*&Last_Energy
>>>>>>>>>>>>> ENDDO <<<<<<<<<<<<<<<<<<<<<<<<<<<<< 
*-------------------------------------------------------------------------------
End of Input