Alex Granovsky
gran@classic.chem.msu.su
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
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>here are the files. Because the previous files were deleted, I attach different files with the same error message.
>Best regards,