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[交流] 【求助】#2070错误（L1002）

算了好多次，每次都是提示#2070错误，向大家求助：
out文件如下：
(Enter f:\g98w\l1002.exe)
Minotr:  Closed-shell wavefunction.
      Direct CPHF calculation.
      Solving linear equations simultaneously.
      Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
      Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
      Differentiating once with respect to electric field.
            with respect to dipole field.
      Differentiating once with respect to nuclear coordinates.
      NewPWx=T KeepS1=F KeepF1=F KeepIn=F MapXYZ=F.
      MDV=    39321600
      Using IRadAn=    2.
Integrals replicated using symmetry in FoFDir.
MinBra= 0 MaxBra= 2 Meth= 1.
IRaf=    0 NMat=  80 IRICut=    80 DoRegI=T DoRafI=T ISym2E= 2 JSym2E=2.
Raff turned off since only 38.14% of shell-pairs survive.
      There are 240 degrees of freedom in the 1st order CPHF.
240 vectors were produced by pass  0.
AX will form  80 AO Fock derivatives at one time.
240 vectors were produced by pass  1.
238 vectors were produced by pass  2.
237 vectors were produced by pass  3.
237 vectors were produced by pass  4.
writwa

这就是最后了，也没提示错误，可就是算不下去了，希望高手给予解答，先谢谢各位了！

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1楼2009-10-07 14:58:23

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金虫 (小有名气)

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引用回帖:

Originally posted by yjcmwgk at 2009-10-7 17:01:
这样子啊……呵呵对不起！我错了，我认错！
看看这个http://muchong.com/bbs/viewthread.php?tid=1566146
2.10和2.11对你应该挺有帮助（为了向你认错，我专门增加了第二章第10节和第11节哦）