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Spurious integrated density or basis function:
NE=  270 NElCor=    0 El error=2.40D+01 rel=8.89D-02 Tolerance=1.00D-03
Shell     1     absolute error=1.51D-09              Tolerance=1.20D-02
Shell    32       signed error=4.15D-12              Tolerance=1.00D-01
Inaccurate quadrature in CalDSu.
Error termination via Lnk1e in /opt/g03b04/g03/Spurious integrated density or basis function:
NE=  270 NElCor=    0 El error=2.40D+01 rel=8.89D-02 Tolerance=1.00D-03
Shell     1     absolute error=1.51D-09              Tolerance=1.20D-02
Shell    32       signed error=4.15D-12              Tolerance=1.00D-01
Inaccurate quadrature in CalDSu.
Error termination via Lnk1e in /opt/g03b04/g03/l801.exe at Thu Jan  7 09:48:41 2010.
Job cpu time:  0 days  0 hours  0 minutes  0.0 seconds.
File lengths (MBytes):  RWF=     61 Int=      0 D2E=      0 Chk=      3 Scr=      1l801.exe at Thu Jan  7 09:48:41 2010.
Job cpu time:  0 days  0 hours  0 minutes  0.0 seconds.
File lengths (MBytes):  RWF=     61 Int=      0 D2E=      0 Chk=      3 Scr=      1
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xiaofen

Í­³æ (СÓÐÃûÆø)

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Originally posted by ¶¬ÌìÀïµÄ½¾Ñô at 2010-1-7 14:54:
integral(grad=ultrafine)
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Last state="Int2"
TCursr=33311 LCursr=   40
Error termination via Lnk1e in /opt/g03b04/g03/l1.exe at Thu Jan  7 14:26:08 2010.
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2Â¥2010-01-07 14:54:04
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[ Last edited by ¶¬ÌìÀïµÄ½¾Ñô on 2010-1-7 at 14:56 ]
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