最近在linux环境下，用MP2/aug-cc-pvdz计算一个含CHO、大约有50个原子体系的单点能，但是总是出现错误，log文件最后为
**** Warning!!: The largest alpha MO coefficient is 0.98485318D+02
Disk-based method using OVN memory for 79 occupieds at a time.
Estimated scratch disk usage= 61376154532 words.
Actual scratch disk usage= 61005777316 words.
JobTyp=1 Pass 1: I= 1 to 79 NPSUse= 4 ParTrn=T ParDer=T DoDerP=F.
请问该如何解决？
[ Last edited by yang198892 on 2013-5-14 at 17:03 ]
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