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Restarting incremental Fock formation.
Restarting incremental Fock formation.
>>>>>>>>>> Convergence criterion not met.
SCF Done:  E(UPBE+HF-PBE) =  -4108.43167024     A.U. after  129 cycles
             Convg  =    0.4670D-06             -V/T =  2.0171
             S**2   =   0.7583
Annihilation of the first spin contaminant:
S**2 before annihilation     0.7583,   after     0.7500
Convergence failure -- run terminated.
Error termination via Lnk1e in /scratch/g03/l502.exe at Thu Dec  5 06:26:31 2013.
Job cpu time:  1 days  9 hours 10 minutes 21.6 seconds.
File lengths (MBytes):  RWF=    632 Int=      0 D2E=      0 Chk=     45 Scr=      1
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