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disable SOSCF during MCSCF

Jonas Baltrusaitis
jonas-baltrusaitis@uiowa.edu

I am running MCSCF and getting problems with SOSCF scaling (convergence). After increasing accuracy I tried disabling SOSCF whatsoever but, oddly enough, it's still there. That is, with $MCSCF method=dm2 cistep=guga   SOSCF=.f.  CASHFT=1.0 CASDII=0.01
 MICIT=5 maxit=100 $END

still generates the mess below. So how do I disable it? In $SCF?

Jonas

23   -1898.929485282      -0.000003236  0.000979 1.660E-01  1   0.0000
 24   -1898.929444608       0.000040674  0.001429 4.605E-02  1   0.0000
      SOSCF IS SCALING ROTATION ANGLE MATRIX, SQCDF=    0.308170
      SOSCF IS SCALING ROTATION ANGLE MATRIX, DXMAX=   13.037776
 25   -1898.929972943      -0.000528335  0.002073 2.007E-01  1   0.0000
      SOSCF IS SCALING ROTATION ANGLE MATRIX, DXMAX=    0.661176
 26   -1898.930779868      -0.000806925  0.003206 1.965E-01  1   0.0000
      SOSCF IS SCALING ROTATION ANGLE MATRIX, DXMAX=    0.275821
 27   -1898.931303191      -0.000523323  0.003795 4.028E-01  1   0.0000
      SOSCF IS SCALING ROTATION ANGLE MATRIX, DXMAX=    0.699305
 28   -1898.932019079      -0.000715888  0.005509 2.924E-01  1   0.0000
      SOSCF IS SCALING ROTATION ANGLE MATRIX, DXMAX=    0.380564
 29   -1898.931713356       0.000305723  0.005364 2.729E-01  1   0.0000

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