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分类	共搜索到 149 个相关话题(最多显示前5000个)	作者	最后发表

量子化学	高斯问题出现2070问题 Inc.andthatitwillnotusethisprograminanymannerprohibitedabove.-Citethisworkas:Gaussian16,RevisionA.03,M.J.Frisch,G.W....2016.*Gaussian16:EM64W-G16RevA.0317-Dec-201623-Feb-2023*%...	辰未爱吃糖	2023-02-23 01:48
量子化学	Gaussian09W一运行立马报错2070但是输出文件里没有给出任何关于... 2013,Gaussian,Inc.AllRightsReserved.ThisispartoftheGaussian(R)09program.ItisbasedontheGaussian(R)03system(copyright2003,Gaussian,Inc.),...Citethisworkas:Gaussian09,RevisionD.01,...	北北木	2022-06-30 07:18
量子化学	大佬们报错啦2070 EnteringLink1=D:\Gaussian09\G09W\l1.exePID=10512.Copyright(c)1988,1990,1992,1993,1995,1998,2003,2009,2011,Gaussian,Inc.AllRightsReserved....Citethisworkas:Gaussian09,RevisionC.01,...	惜沫落颜	2022-05-23 02:14
有奖问答	gaussian09 提交任务时出现#2070 the processing of the last ... EnteringLink1=D:\G09W\l1.exePID=6544.Copyright(c)1988,1990,1992,1993,1995,1998,2003,2009,2013,Gaussian,Inc.AllRightsReserved....Citethisworkas:Gaussian09,RevisionD.01,...	RedLee1	2022-04-01 12:16
第一性原理	Gaussian job terminated with an error for input file RestrictedRightsclauseinFAR52.227-19.Gaussian,Inc.340...02NBF=2911NBsUse=401.00D-06EigRej=-1.00D+00NBFU=2911ExpMin=1.43D-01ExpMax=2.52D+04ExpMxC=3.78D+03IAcc=1IRadAn=1AccDes=0.00D...	mirthwdl	2021-12-30 10:34
量子化学	请问高斯模拟运行出错是什么原因？请求大神帮忙看看 Gaussian,Inc.AllRightsReserved.ThisispartoftheGaussian(R)...Inc.andthatitwillnotusethisprograminanymannerprohibitedabove.-Citethisworkas:Gaussian09,RevisionD.01,M.J.Frisch,G.W....	one_piece_	2021-09-01 06:09
计算模拟	Gaussian求助为何polar=DCSHG 和读取basis set的关键词gen无法... 01-8.983000D-031.285000D-012.385000D-03S101.008.236000D+03-1.130000D-041.235000D+03-8.780000D-042.808000D+02-4.540000D-037.927000D+01-1.813300D-022.559000D+01-5.576000D-028....	不行也得行	2021-03-22 01:39
第一性原理	DFT结构优化问题报错。 Li.chk#B3LYP/genpseudo=readgfinputscf=tightnosymm6d10foptfre=noramanP4VP-Li+11C02.754310-0.163806-0.900623C02.850410-1.550210-0.840023C01.679810-2...31G(d,p)*Li0SDF2输出文件如下：...	AFMMJACS	2021-01-02 10:50
量子化学	量子化学Gaussian计算时，做BSSE校正时，出现L401错误，求大神... 输入文件：%chk=C:\Users\...NE=10NElCor=0Elerror=9.86D+00rel=2.46D-01Tolerance=1.00D-03Shell12absoluteerror=8.44D-04Tolerance=1.20D-02Shell12signederror=8.44D-04Tolerance=1.00D-01...	柳暗花明cy	2020-12-18 09:28
硕博家园	小白操作Gaussian 09计算出错，求大佬指点 Inc.andthatitwillnotusethisprograminanymannerprohibitedabove.-Citethisworkas:Gaussian09,RevisionD.01,M.J.Frisch,G.W....2013.*Gaussian09:IA32W-G09RevD.0124-Apr-201303-May-2020*%...	tb930826	2020-05-03 10:23
第一性原理	用Gaussian软件显示输入文件出错 Gaussian,Inc.AllRightsReserved.ThisispartoftheGaussian(R)...TrustRadius=3.00D-01FncErr=1.00D-07GrdErr=1.00D-06Numberofstepsinthisrun=80maximumallowednumberofsteps=108....	xinxiuer	2020-04-17 03:45
硕博家园	Gaussian小白求助大神！基态优化，输入文件如下：%chk=1.chk%mem=20GB%nprocshared=8#poptb3lyp/6-31+G(d,p)nosymmscf=qcTitleCardRequired01C-2.00554919-4.38651566-3.40423393C-2.03444919...4.332930886279D+03DE...	凯家小狮	2018-03-21 01:22
硕博家园	求问各位大神，这个结构的单点能如何计算呢？... Gaussian09:IA32W-G09RevA.0211-Jun-200917-Dec-2017*%chk=1...422.1494XXZZ=-311.0200YYZZ=-190.1307XXYZ=33.3308YYXZ=12.9953ZZXY=31.5025N-N=8.897566087202D+02E-N=-3.207558394590D+03KE=...	sophialeo888	2017-12-18 11:42
量子化学	高斯09，高斯view求助。 EnteringLink1=D:\G09W\l1.exePID=1156.Copyright(c)1988,1990,1992,1993,1995,1998,2003,2009,2013,Gaussian,Inc.AllRightsReserved....Citethisworkas:Gaussian09,RevisionD.01,...	fan5561777	2017-12-03 09:14
量子化学	高斯计算出现问题怎么解决 Gaussian,Inc.AllRightsReserved.ThisispartoftheGaussian(R)...3.023090.0051GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradBernyoptimization....	1416108779	2017-11-28 07:19
有机交流	gaussview5提交计算报错2070 \gausscompu\111.rwf%nosave%chk=D:\gausscompu\chk\111.chk#nmr=giaob3lyp/3-21gscrf=(solvent=chloroform)TitleCardRequired...2009.*Gaussian09:IA32W-G09RevA.0211-Jun-200922-Oct-2017*%...	本多忠胜	2017-10-22 03:07
量子化学	为什么直接不运算？出现这种情况 Inc.andthatitwillnotusethisprograminanymannerprohibitedabove.-Citethisworkas:Gaussian09,RevisionB.01,M.J.Frisch,G.W....A.D.Daniels,O.Farkas,J.B.Foresman,J.V.Ortiz,J.Cioslowski,...	戒律清规	2017-10-04 02:03
量子化学	请教Gaussian09 Linda版的安装和使用 chk=tmp/test01/test03.chk%NProcShared=4%LindaWorkers=linux01:2,linux02:2#opthf/6-31(d)test0301C-2.143400001.650000000.00000000C-2.143400000.825000000.00000000C-1.428900000....	tanya	2017-05-12 08:22
量子化学	gaussian09提交做了报错我安装了linux版的gaussian09，提交了一个tests目录下的d1...Inc.andthatitwillnotusethisprograminanymannerprohibitedabove.-Citethisworkas:Gaussian09,RevisionE.01,M.J.Frisch,G.W.Trucks...	拿铁不加糖	2017-02-18 02:27
量子化学	Gaussian算不了，求助！ Inc.andthatitwillnotusethisprograminanymannerprohibitedabove.-Citethisworkas:Gaussian03,RevisionD.01,M.J.Frisch,G.W....P.Salvador,J.J.Dannenberg,V.G.Zakrzewski,S.Dapprich,A.D....	水上漂0	2017-01-15 08:15
量子化学	gaussian09 提交任务时出现the processing of the last link ... V/T=2.0045*2=0.0000S=0.0000...\ruanjian\g09C01window\G09W\l502.exeatSunDec1120:26:102016.Jobcputime:0days0hours46minutes28.0seconds.Filelengths(MBytes):RWF=119Int=0D2E=0Chk=2Scr=1...	zhy嘿哈	2016-12-11 01:17
量子化学	【求助】Gaussian错误求助：One-electron integrals.Zero scale ... H_06.356333290.36078947-12.67800000LN-N_R04.302333290.76078947-13.04400000MC-C_R03.220333290.64678947-13.87600000MH-H_03.366333290.46878947-14.93100000MC-C_R01....RWF=10Int=0D2...	hp以火之名	2016-11-28 01:25
量子化学	G09在Linux下的ntrex1错误 Gaussian版本：G09E01虚拟机：VMwareLinux版本：ubuntu14.04LTS输入文件：#optfreqb3lyp/6-31g(d)geom=connectivity1119-311C-...Inc.AllRightsReserved.ThisispartoftheGaussian(R)09program...	vincentmomo	2016-11-27 11:09
硕博家园	gaussian运行到一半出现link died是什么原因 ThisispartoftheGaussian(R)09program.ItisbasedontheGaussian(R)03system(copyright2003,Gaussian,Inc.),the...B.Foresman,J.V.Ortiz,J.Cioslowski,andD.J.Fox,Gaussian,Inc.,...	steena	2016-11-18 11:10
量子化学	linux下运行Gaussian09进程被killed Inc.andthatitwillnotusethisprograminanymannerprohibitedabove.-Citethisworkas:Gaussian09,RevisionC.01,M.J.Frisch,G.W....A.D.Daniels,O.Farkas,J.B.Foresman,J.V.Ortiz,J.Cioslowski,...	半步沧澜2K	2016-07-02 11:46