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woxiangfei

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[ÇóÖú] No file to extend for IUnit= 1 -- out of disk space.

Minotr:  Closed shell wavefunction.
          IDoAtm=11111111111111111111111111111111111111111111111111
          IDoAtm=11111111111111111111111111111111111111111111111111
          IDoAtm=11111111111111111111111111111111111111111111111111
          IDoAtm=111111111111111111111111111111111111111111111
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
          MDV=      91693954 using IRadAn=       2.
          Keep J ints in memory in canonical form, NReq=1607548.
Symmetry not used in FoFDir.
MinBra= 0 MaxBra= 1 Meth= 8.
IRaf=       0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0.
          Solving linear equations separately, MaxMat=       0.
          There are   588 degrees of freedom in the 1st order CPHF.  IDoFFX=5.
No file to extend for IUnit=  1 -- out of disk space.
Error termination in NtrErr:
NtrErr called from NtrExt.
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woxiangfei

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