當(dāng)前只顯示滿足指定條件的回帖，點(diǎn)擊這里查看本話題的所有回帖

菜鳥都不算

新蟲 (小有名氣)

應(yīng)助: 2 (幼兒園)
金幣: 651.3
紅花: 16
帖子: 66
在線: 31.1小時(shí)
蟲號: 3753244
注冊: 2015-03-20
專業(yè): 生物化學(xué)

[求助] 在接贗勢原子優(yōu)化后計(jì)算拉曼頻率出現(xiàn)錯(cuò)誤剛運(yùn)行就死已有2人參與

Entering Link 1 = E:\gs09\G09W\l1.exe PID=    10912.

Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
         Gaussian, Inc.  All Rights Reserved.

This is part of the Gaussian(R) 09 program.  It is based on
the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
University), and the Gaussian 82(TM) system (copyright 1983,
Carnegie Mellon University). Gaussian is a federally registered
trademark of Gaussian, Inc.

This software contains proprietary and confidential information,
including trade secrets, belonging to Gaussian, Inc.

This software is provided under written license and may be
used, copied, transmitted, or stored only in accord with that
written license.

The following legend is applicable only to US Government
contracts under FAR:

                  RESTRICTED RIGHTS LEGEND

Use, reproduction and disclosure by the US Government is
subject to restrictions as set forth in subparagraphs (a)
and (c) of the Commercial Computer Software - Restricted
Rights clause in FAR 52.227-19.

Gaussian, Inc.
340 Quinnipiac St., Bldg. 40, Wallingford CT 06492


---------------------------------------------------------------
Warning -- This program may not be used in any manner that
competes with the business of Gaussian, Inc. or will provide
assistance to any competitor of Gaussian, Inc.  The licensee
of this program is prohibited from giving any competitor of
Gaussian, Inc. access to this program.  By using this program,
the user acknowledges that Gaussian, Inc. is engaged in the
business of creating and licensing software in the field of
computational chemistry and represents and warrants to the
licensee that it is not a competitor of Gaussian, Inc. and that
it will not use this program in any manner prohibited above.
---------------------------------------------------------------


Cite this work as:
Gaussian 09, Revision D.01,
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci,
G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian,
A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada,
M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima,
Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr.,
J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers,
K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand,
K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi,
M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross,
V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann,
O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski,
R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth,
P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels,
O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski,
and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.

******************************************
Gaussian 09:  IA32W-G09RevD.01 24-Apr-2013
            10-Apr-2015
******************************************
%chk=E:\yb\shamingdan\3ag\3ag.chk
-------------------------------------------------------------------
# b3lyp/gen guess=read geom=check extrabasis pseudo=read freq=raman
-------------------------------------------------------------------
1/10=4,29=2,30=1,38=1/1,3;
2/12=2,40=1/2;
3/5=7,10=1,11=2,14=-4,16=1,17=8,25=1,30=1,71=2,74=-5,116=-2,140=1/1,2,3;
4/5=1/1;
5/5=2,38=6,98=1/2;
8/6=4,10=90,11=11/1;
10/13=10,15=4/2;
11/6=3,8=1,9=11,15=111,16=1/1,2,10;
10/6=1/2;
6/7=2,8=2,9=2,10=2,18=1,28=1/1;
7/8=1,10=1,25=1/1,2,3,16;
1/10=4,30=1/3;
99//99;
---
0 2
---
Wanted an integer as input.
Found a string as input.
4ag pl
  ?
Error termination via Lnk1e in E:\gs09\G09W\l101.exe at Fri Apr 10 12:12:28 2015.
Job cpu time:    0 days  0 hours  0 minutes  0.0 seconds.
File lengths (MBytes):  RWF=    5 Int=    0 D2E=    0 Chk=    19 Scr=    1

請?jiān)敿?xì)解釋下，謝謝了辛苦各位前輩老師了

回復(fù)此樓

» 本帖已獲得的紅花（最新10朵）

菜鳥都不算

» 猜你喜歡

348 求調(diào)劑已經(jīng)有6人回復(fù)
招收材料、新能源、冶金、化工、環(huán)境等工科類考生已經(jīng)有2人回復(fù)
物理化學(xué)論文潤色/翻譯怎么收費(fèi)? 已經(jīng)有165人回復(fù)
招收新能源、冶金、材料、化工、環(huán)境等工科類考生已經(jīng)有0人回復(fù)
393求調(diào)劑推薦已經(jīng)有1人回復(fù)
能源環(huán)境新材料研究團(tuán)隊(duì) 招收新能源、冶金、材料、化工、環(huán)境等工科類考生已經(jīng)有0人回復(fù)
一志愿南師大0703化學(xué) 275求調(diào)劑已經(jīng)有4人回復(fù)
能源環(huán)境新材料研究團(tuán)隊(duì) 招收新能源、冶金、材料、化工、環(huán)境等工科類研究生已經(jīng)有0人回復(fù)
武漢紡織大學(xué)教育部重點(diǎn)實(shí)驗(yàn)室調(diào)劑已經(jīng)有0人回復(fù)
A 區(qū)過線就可申！重慶雙非公辦高校 0856調(diào)劑，接受跨專業(yè)！納米材料 / 潤滑熱門方向已經(jīng)有0人回復(fù)
能源環(huán)境新材料研究團(tuán)隊(duì) 研究生調(diào)劑招生已經(jīng)有0人回復(fù)

» 本主題相關(guān)價(jià)值貼推薦，對您同樣有幫助:

VASP計(jì)算金剛石 E-V關(guān)系后Origin擬合出問題已經(jīng)有29人回復(fù)
pwscf 拉曼光譜計(jì)算只能用LDA的PZ 已經(jīng)有10人回復(fù)
castep計(jì)算Fe2O3聲子譜失敗，原因求教~~ 已經(jīng)有10人回復(fù)
【求助】pwscf 贗勢選擇已經(jīng)有6人回復(fù)
【原創(chuàng)】第一原理計(jì)算的一些心得已經(jīng)有160人回復(fù)
【求助】ph.x計(jì)算振動(dòng)頻率的問題已經(jīng)有15人回復(fù)
【其他】免費(fèi)軟件學(xué)習(xí)資料大征集（abinit, pwscf, lammps, CPMD, XMD 等等免費(fèi)軟件）已經(jīng)有21人回復(fù)

1樓 2015-04-10 13:18:05

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

槍下游魂

木蟲 (著名寫手)

應(yīng)助: 718 (博后)
金幣: 8336.9
散金: 175
紅花: 80
帖子: 1498
在線: 542.6小時(shí)
蟲號: 2620258
注冊: 2013-08-28
專業(yè): 理論和計(jì)算化學(xué)

【答案】應(yīng)助回帖

感謝參與，應(yīng)助指數(shù) +1

不管你是用什么修改的
出錯(cuò)提示說的很明顯了：
Wanted an integer as input.
Found a string as input.

需要整型輸入，而你輸入了一個(gè)字符串
所以仔細(xì)檢查你輸入文件對應(yīng)的部分

贊一下

回復(fù)此樓

4樓2015-04-13 09:27:29

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

查看全部 16 個(gè)回答

youyno

銀蟲 (正式寫手)

應(yīng)助: 114 (高中生)
金幣: 157.5
散金: 3774
紅花: 57
帖子: 666
在線: 217.1小時(shí)
蟲號: 1817680
注冊: 2012-05-15
性別: GG
專業(yè): 理論和計(jì)算化學(xué)

【答案】應(yīng)助回帖

感謝參與，應(yīng)助指數(shù) +1

很明顯是輸入文件問題，要把輸入文件貼出來，別人才好解決

贊一下

回復(fù)此樓

平生多磨礪，男兒自橫行！

2樓2015-04-10 23:11:35

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

菜鳥都不算

新蟲 (小有名氣)

應(yīng)助: 2 (幼兒園)
金幣: 651.3
紅花: 16
帖子: 66
在線: 31.1小時(shí)
蟲號: 3753244
注冊: 2015-03-20
專業(yè): 生物化學(xué)

引用回帖:

2樓: Originally posted by youyno at 2015-04-10 23:11:35
很明顯是輸入文件問題，要把輸入文件貼出來，別人才好解決

不好意思呀，我是在用Gaussian打開out輸出文件上進(jìn)行編輯修改后在用Gaussian運(yùn)行的

贊一下

回復(fù)此樓

3樓2015-04-12 19:24:48

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

菜鳥都不算

新蟲 (小有名氣)

應(yīng)助: 2 (幼兒園)
金幣: 651.3
紅花: 16
帖子: 66
在線: 31.1小時(shí)
蟲號: 3753244
注冊: 2015-03-20
專業(yè): 生物化學(xué)

引用回帖:

4樓: Originally posted by 槍下游魂 at 2015-04-13 09:27:29
不管你是用什么修改的
出錯(cuò)提示說的很明顯了：
Wanted an integer as input.
Found a string as input.

需要整型輸入，而你輸入了一個(gè)字符串
所以仔細(xì)檢查你輸入文件對應(yīng)的部分

謝謝我再重新看看

贊一下

回復(fù)此樓

5樓2015-04-13 16:54:14

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

最具人氣熱帖推薦 [查看全部]	作者	回/看	最后發(fā)表

[考研] 322求調(diào)劑 +10	宋明欣 2026-03-27	10/500	2026-03-30 18:47 by 544594351
[考研] 297求調(diào)劑 +17	田洪有 2026-03-26	18/900	2026-03-30 18:32 by nothing投稿中
[考研] 292求調(diào)劑 +13	是妍子也是研子 2026-03-30	13/650	2026-03-30 18:01 by 小徐0109
[考研] 307求調(diào)劑 +16	超級伊昂大王 2026-03-24	17/850	2026-03-30 17:15 by 544594351
[考研] 286求調(diào)劑 +5	Faune 2026-03-30	5/250	2026-03-30 17:15 by 無際的草原
[考研] 070300一志愿211，312分求調(diào)劑院校 +4	小黃鴨寶 2026-03-30	4/200	2026-03-30 11:49 by 棒棒球手
[考研] 375求調(diào)劑 +6	雨夏整夜 2026-03-29	6/300	2026-03-30 10:21 by herarysara
[考研] 085600，材料與化工321分求調(diào)劑 +10	大饞小子 2026-03-28	10/500	2026-03-29 23:35 by 飛行日記西
[考研] 290求調(diào)劑 +3	dfffsar 2026-03-29	3/150	2026-03-29 22:38 by 毛毛毛阿莫2
[考研] 329求調(diào)劑 +10	鈕恩雪 2026-03-25	10/500	2026-03-29 13:32 by peike
[考研] 一志愿華理，數(shù)一英一285求A區(qū)調(diào)劑 +8	AZMK 2026-03-25	12/600	2026-03-28 18:15 by AZMK
[考研] 285求調(diào)劑 +4	AZMK 2026-03-27	7/350	2026-03-27 20:59 by AZMK
[考研] 274求調(diào)劑 +17	顧九笙要謙虛 2026-03-24	23/1150	2026-03-27 15:16 by caszguilin
[考研] 材料求調(diào)劑 +5	.m.. 2026-03-25	5/250	2026-03-27 11:08 by 不吃魚的貓
[考研] 材料調(diào)劑 5+4	想要一壺桃花水 2026-03-25	10/500	2026-03-26 19:56 by 不吃魚的貓
[考研] 總分322求生物學(xué)/生化與分子/生物信息學(xué)相關(guān)調(diào)劑 +5	星沉uu 2026-03-26	6/300	2026-03-26 19:02 by macy2011
[考研] 085602 289分求調(diào)劑 +8	WWW西西弗斯 2026-03-24	8/400	2026-03-26 16:33 by 不吃魚的貓
[考研] 309求調(diào)劑 +4	gajsj 2026-03-25	5/250	2026-03-26 00:27 by Dyhoer
[考研] 340求調(diào)劑 +5	話梅糖111 2026-03-24	5/250	2026-03-25 06:53 by ilovexiaobin
[考研] 材料專碩找調(diào)劑 +5	哈哈哈吼吼吼哈 2026-03-23	5/250	2026-03-24 19:07 by 了了了了。。