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Density matrix is not changing but DIIS error= 1.07D-06 CofLast= 4.94D-01.
The SCF is confused.
Error termination via Lnk1e in /home/chem12/g03/l502.exe at Sun Sep  1 09:51:35 2013
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gkf¸ß: ½ð±Ò+2 2013-09-02 11:32:59
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2Â¥: Originally posted by jerkwin at 2013-09-02 10:19:48
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3Â¥: Originally posted by jerkwin at 2013-09-02 21:10:28
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