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Êä³öÎļþµÄ×îºó£º ================== Calling MO disk program. Bad length for file. FileIO: IOper= 1 IFilNo(1)= -26 Len= 0 IPos= 0 Q= 47288777507360 dumping /fiocom/, unit = 1 NFiles = 103 SizExt = 524288 WInBlk = 512 defal = T LstWrd = 1626624 FType=2 FMxFil=10000 ..... (Ê¡ÂÔÁ˼¸ÐÐÀàËÆÏÂÃæµÄÊä³ö) Number 534 536 538 540 545 547 548 549 Base 217600 228352 229376 226816 230400 231424 231936 234496 End 218195 228947 229971 227972 230428 231492 234180 235585 End1 218624 229376 230400 228352 230912 231936 234496 236032 Wr Pntr 217600 228352 229376 226816 230400 231424 231936 234496 dumping /fiocom/, unit = 3 NFiles = 1 SizExt = 524288 WInBlk = 512 defal = T LstWrd = 65536 FType=2 FMxFil=10000 Number 0 Base 40448 End 65536 End1 65536 Wr Pntr 40448 Rd Pntr 40448 Length 25088 Error termination in NtrErr: NtrErr Called from FileIO. ======================================================= ÊäÈëÎļþÊÇ£º #P UCIS(D,Triplets, NStates=10)/6-311+G(2df,2p) Guess=(Mix,Always) SCF =(Tight, Direct, MaxCycle=512) MaxDisk=200000MB ======================================================== MaxDiskÒѾÉèÖÃΪ×î´óÁË£¬ÊÇ˵Õâ¸ö´æ´¢¿Õ¼ä»¹²»¹»Â𣿠¶àлÁË |
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