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Jessica0506

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[求助] 高斯错误l703Allocation failure for numerical quadrature.,请求各位大神帮忙改正。

输入文件（没有金属原子）
%chk=a.chk
%mem=4GB
%NProcShared=12
%rwf=1,19900000mb,2,19900000mb,3,19900000mb,4,19900000mb
#p opt freq b3lyp/STO-3G EmpiricalDispersion=GD3BJ scf=xqc geom=connectivity test

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输出文件：
      NMat0= 1 NMatS0=    1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
Symmetry not used in FoFCou.
FMM levels:  10  Number of levels for PrismC: 9
In Quad4, NSgAt2=    293 but IDerNu=1 NAtomA=    631 NAtAll=    280.
Allocation failure for numerical quadrature.
Error termination via Lnk1e in /share/apps/g09.D01/g09/l703.exe at Tue May 26 13:09:25 2015.
Job cpu time:    12 days  8 hours 24 minutes 24.9 seconds.
File lengths (MBytes):  RWF= 3158 Int=    0 D2E=    0 Chk= 432 Scr=    1

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