24小时热门版块排行榜

>论坛更新日志 (3664)
>虫友互识 (681)
>导师招生 (249)
>文献求助 (216)
>硕博家园 (122)
>考博 (104)
>公派出国 (99)
>博后之家 (80)
>论文投稿 (80)
>找工作 (75)
>休闲灌水 (75)
>基金申请 (74)
>考研 (67)
>论文道贺祈福 (64)
>教师之家 (54)
>招聘信息布告栏 (44)

返回列表

fengpeicccc

新虫 (初入文坛)

应助: 0 (幼儿园)
金币: 68.3
帖子: 8
在线: 71小时
虫号: 1371073
注册: 2011-08-17
性别: MM
专业: 理论和计算化学

[求助] 高斯计算总是这个结果是什么问题？

高斯计算总是出现这样子的情况，问题出在哪里呢？请各位帮忙看一看哦，不胜感激
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=982 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=983 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=984 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=985 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=986 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=987 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=988 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=989 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=990 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=991 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=992 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=993 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=994 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=995 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=996 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=997 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=998 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=999 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=*** NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CPHF failed to converge in LinEq1.
Error termination via Lnk1e in /apps/chem/Gaussian/G09_C01/g09/l508.exe at Wed Feb  4 16:18:33 2015.
Job cpu time:  0 days 20 hours 20 minutes 37.7 seconds.
File lengths (MBytes):  RWF= 7880 Int=    0 D2E=    0 Chk= 140 Scr=    1
~

回复此楼