[molpro-user] GENERAL BASIS CONTRACTION NOT IMPLEMENTED IN CADPAC GRADIENTS

[gaosm09]

dear molpro-user
I met some trouble when I use cc-pvtz basis in conical calculations. below is my input and output massages. why this happen?
---------
input
 ***,LiH2

 basis=vdz

 set,zsymel='nosym'
 geometry={
           Li;
           H1,Li,r;
           H2,Li,r,H1,theta}

 r=3.7
 theta=160

 {hf;wf,4,1,0}

 {multi;
  occ,7;
  wf,4,1,0;                                                                      !singlet state
  wf,4,1,2;                                                                      !triplet state
  CPMCSCF,GRAD,1.1,spin=0,accu=1.0d-7,record=5101.1                              !cpmcscf for gradient of singlet state
  CPMCSCF,GRAD,1.1,spin=1,accu=1.0d-7,record=5100.1                              !cpmcscf for gradient of triplet state
 }

 {Force
  SAMC,5101.1                                                                    !state averaged gradient for singlet state
  CONICAL,6100.1,NODC}                                                           !save information for OPTCONICAL

 {Force
  SAMC,5100.1                                                                    !state averaged gradient for triplet state
  CONICAL,6100.1,NODC}                                                           !save information for OPTCONICAL

 optg,startcmd=multi,gradient=1.d-6 

==========================================
 **********************************************************************************************************************************

1PROGRAM * FORCE (Gradient of the energy)

 SA-MCSCF information from    5101.1
 Orbitals from record         2140.2

 Number of closed-shell orbitals:  1 (  1 )
 Number of active orbitals:        6 (  6 )
 Number of occupied orbitals:      7 (  7 )

 Number of electrons= 4     Singlet     Space symmetry=1      Wavefunction type: SA-MCSCF


 GENERAL BASIS CONTRACTION NOT IMPLEMENTED IN CADPAC GRADIENTS

 Please try with segmented basis set
                                      



2011-04-11 



gaosm09 
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