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666...金蟲 (正式寫手)
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[求助]
高斯計(jì)算問題 已有1人參與
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輸入文件:%chk=D:\Users\lenovo\Desktop\gaosi5\666.chk # freq b3lyp/6-311g(d) em=gd3 計(jì)算時(shí)出現(xiàn)這個(gè)該怎么辦 End of G2Drv F.D. properties file 721 does not exist. End of G2Drv F.D. properties file 722 does not exist. End of G2Drv F.D. properties file 788 does not exist. IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=1111111111111111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. CalDSu exits because no D1Ps are significant. Out-of-memory error in routine After all major allocation (IEnd= 2362291 MxCore= 2302197) Use %mem=33MW to provide the minimum amount of memory required to complete this step. Error termination via Lnk1e in D:\G09W\l1002.exe at Tue Feb 27 05:16:52 2024. Job cpu time: 0 days 14 hours 44 minutes 34.0 seconds. File lengths (MBytes): RWF= 5912 Int= 0 D2E= 0 Chk= 31 Scr= 1 |
金蟲 (正式寫手)
至尊木蟲 (職業(yè)作家)
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金蟲 (正式寫手)
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