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Re^3: "Error, orbital 504 is missing from reordering instructions"

Alex Granovsky
gran@classic.chem.msu.su


Dear Pejer,

thanks for your bug report. I'll keep you posted on the status of this issue.

As a workaround, try to use:

 $SCF DIRSCF=.TRUE. FDIFF=.FALSE. NCONV=6
  EXTRAP=.TRUE. DAMP=.TRUE. SHIFT=.TRUE. RSTRCT=.FALSE.
  DIIS=.TRUE. SOSCF=.FALSE. $END

Kind regards,
Alex Granovsky


On Mon Apr 14 '14 9:38am, pejer wrote
-------------------------------------
>here are the files. Because the previous files were deleted, I attach different files with the same error message.

>Best regards,


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