帖子
小木虫论坛-学术科研互动平台 » 站内搜索
551/3123下一页
显示全部
分类 共搜索到 55 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
Citethisworkas:Gaussian16,RevisionA.03,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G.Scalmani,...1.36793-0.08031-0.48782C-2.07509-0.666461.45419C-3.01-...
 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...
Inc.andthatitwillnotusethisprograminanymannerprohibitedabove.-Citethisworkas:Gaussian09,RevisionD.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G....
 北北木 2022-06-30 07:18
量子化学 大佬们 报错啦2070
\Gaussian09\G09W\l1.exePID=10512.Copyright(c)1988,1990,...Citethisworkas:Gaussian09,RevisionC.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G.Scalmani,...
 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 ...
\G09W\l1.exePID=6544.Copyright(c)1988,1990,1992,1993,1995...Citethisworkas:Gaussian09,RevisionD.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G....
 RedLee1 2022-04-01 12:16
第一性原理 Gaussian job terminated with an error for input file
Inc.andthatitwillnotusethisprograminanymannerprohibitedabove.-Citethisworkas:Gaussian09,RevisionD.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E....01ExpMax=2.52D+04ExpMxC=3.78D+03IAcc...
 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\G09W\l1.exePID=11192.Copyright(c)1988,1990,1992...Citethisworkas:Gaussian09,RevisionD.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G....
 one_piece_ 2021-09-01 06:09
硕博家园 小白操作Gaussian 09计算出错，求大佬指点
\G09W\l1.exePID=10084.Copyright(c)1988,1990,1992,1993,...Citethisworkas:Gaussian09,RevisionD.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G.Scalmani,...
 tb930826 2020-05-03 10:23
第一性原理 用Gaussian软件显示输入文件出错
\G09W\l1.exePID=11904.Copyright(c)1988,1990,1992,1993,...Citethisworkas:Gaussian09,RevisionD.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G.Scalmani,...
 xinxiuer 2020-04-17 03:45
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=1ts4-p.chk-#hf/3-21g-1/38=1/1;...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。
\G09W\l1.exePID=1156.Copyright(c)1988,1990,1992,1993,1995...Citethisworkas:Gaussian09,RevisionD.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G....
 fan5561777 2017-12-03 09:14
量子化学 高斯计算出现问题怎么解决
\G09W\l1.exePID=4212.Copyright(c)1988,1990,1992,1993,1995...Citethisworkas:Gaussian09,RevisionC.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G....
 1416108779 2017-11-28 07:19
有机交流 gaussview5提交计算报错2070
\ProgramFiles\G09W\l1.exePID=8536.Copyright(c)1988,1990,...Citethisworkas:Gaussian09,RevisionA.02,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G.Scalmani...
 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.AllRightsReserved.ThisispartoftheGaussian(R)09program...Citethisworkas:Gaussian09,RevisionB.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G....
 戒律清规 2017-10-04 02:03
量子化学 gaussian09提交做了报错
Citethisworkas:Gaussian09,RevisionE.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G.Scalmani...2013.*Gaussian09:ES64L-G09RevE.0130-Nov-201518-Feb-2017*...
 拿铁不加糖 2017-02-18 02:27
量子化学 Gaussian算不了，求助！
EnteringLink1=C:\G03W\l1.exePID=5688.Copyright(c)1988,...Citethisworkas:Gaussian03,RevisionD.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,J.A....
 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<L.S=0.000000000000E+00KE=2....\ruanjian\g09C01window\G09W\l502.exeatSunDec1120:26:102016.Jobcputime:0days0hours46minutes28.0seconds.Filelengths(MBytes)...
 zhy嘿哈 2016-12-11 01:17
量子化学 G09在Linux下的ntrex1错误
本人接触Gaussian09时间不长，之前一直在windows上使用，今天尝试在Linux上使用时出现了如下错误，Gaussian版本：G09E01虚拟机：...Citethisworkas:Gaussian09,RevisionE.01,M.J.Frisch,G.W....
 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...as:Gaussian09,RevisionA.02,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G....
 steena 2016-11-18 11:10
量子化学 linux下运行Gaussian09进程被killed
Inc.AllRightsReserved.ThisispartoftheGaussian(R)09program...Citethisworkas:Gaussian09,RevisionC.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G....
 半步沧澜2K 2016-07-02 11:46
量子化学 优化好分子结构后，读取chk文件，继续计算频率，出错
\G09W\l1.exePID=3252.Copyright(c)1988,1990,1992,1993,1995...Citethisworkas:Gaussian09,RevisionC.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G....
 SJZ0508 2016-04-03 03:17
量子化学 用GAUSSIAN计算cluster的原子电荷，出现错误，请大家指教
gg/Soft/Gaussian.D01.Linda/g09/l1.exePID=18130.Copyright...Citethisworkas:Gaussian09,RevisionD.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G....
 Garyee360 2016-03-02 03:47
量子化学 linux投入计算直接死掉，求帮助
2048mb,loc4,2048mb,loc5,2048mb,loc6,2048mb,loc#optpm3geom=connectivitybcd-d01CC1B1C2B21A1C3B32A21D1C2B41A33D2C5B52A41D3C6B65A52D4C7B76A65D5C8B87A76D6C9B98A87D7C8B107A96D8C1B113...
 小妹妹南京 2016-01-05 02:15
量子化学 求助MS，Gaussian 大神帮助看看：TS模拟计算失败……
Inc.AllRightsReserved.ThisispartoftheGaussian(R)09program...Citethisworkas:Gaussian09,RevisionB.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G....
 秋思恰落花 2016-01-03 12:39
计算模拟 Internal consistency failure#1 in ROv08.
Inc.AllRightsReserved.ThisispartoftheGaussian(R)09program...Citethisworkas:Gaussian09,RevisionD.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G....
 西顾东走 2015-11-16 11:47
量子化学 新手计算遇挫，请大虾给与指点，谢谢
Inc.AllRightsReserved.ThisispartoftheGaussian(R)09program...Citethisworkas:Gaussian09,RevisionD.01,M.J.Frisch,G.W.Trucks,H.B.Schlegel,G.E.Scuseria,M.A.Robb,J.R.Cheeseman,G....
 kuyedexiao 2015-06-23 08:08
551/3123下一页