24СʱÈÈÃŰæ¿éÅÅÐаñ    

Znn3bq.jpeg
ÉÇÍ·´óѧº£Ñó¿ÆÑ§½ÓÊܵ÷¼Á
²é¿´: 3641  |  »Ø¸´: 10
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

baoyuan6969

½ð³æ (СÓÐÃûÆø)


[½»Á÷] ¡¾ÇóÖú¡¿Error in internal coordinate system.

GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
Berny optimization.
NTrRot=    -1 NTRed=    29 NAtoms=    10 NSkip=     5 IsLin=F
Error in internal coordinate system.
Error termination via Lnk1e in /home/cast/program/g09/l103.exe at Tue Nov 23 13:44:47 2010.
±¾È˼ÆËãʱ³öÏÖÈçÉÏ´íÎó£¬ÄÄλ´ïÈËÖªµÀÊÇÔõô»ØÊ£¿ÎÒ¾õµÃÎҵĽṹӦ¸ÃûÎÊÌâ
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

¹âÆ×

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

baoyuan6969

½ð³æ (СÓÐÃûÆø)


[quote]Originally posted by ykwang at 2010-11-23 16:51:25:
Äã¼ÈÈ»¾õµÃ½á¹¹Ã»ÎÊÌ⣬ÄǾÍÓÃÖ±½Ç×ø±êÖ±½ÓÓÅ»¯°É£¬²»ÒªÓÃÄÚ×ø±ê¡£ [/qÎÒÊÔÁË£¬Ò²²»ÐÐ
4Â¥2010-11-23 16:59:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 11 ¸ö»Ø´ð

ykwang

½ð³æ (ÕýʽдÊÖ)


Äã¼ÈÈ»¾õµÃ½á¹¹Ã»ÎÊÌ⣬ÄǾÍÓÃÖ±½Ç×ø±êÖ±½ÓÓÅ»¯°É£¬²»ÒªÓÃÄÚ×ø±ê¡£
3Â¥2010-11-23 16:51:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ykwang

½ð³æ (ÕýʽдÊÖ)


ÒýÓûØÌû:
Originally posted by baoyuan6969 at 2010-11-23 16:59:47:
ÎÒÊÔÁË£¬Ò²²»ÐÐ

ÔõôÊԵģ¬ÓÐʲô´íÎó£¿Äã×ܲ»ÄÜÈÃÈ˲ÂÄãÔõô×öµÄ°É£¿
5Â¥2010-11-23 17:21:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

baoyuan6969

½ð³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by ykwang at 2010-11-23 17:21:17:

ÔõôÊԵģ¬ÓÐʲô´íÎó£¿Äã×ܲ»ÄÜÈÃÈ˲ÂÄãÔõô×öµÄ°É£¿

°ÑÊäÈëÎļþ»»³ÉµÑ¿¨¶û×ø±êµÄ£¬ÔËÐл¹ÊÇÒ»ÑùµÄ´íÎó¡£
6Â¥2010-11-23 17:54:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 291 Çóµ÷¼Á +33 »¯¹¤2026½ì±ÏÒµÉ 2026-04-09 33/1650 2026-04-13 22:16 by pies112
[¿¼ÑÐ] 22ר˶Çóµ÷¼Á +8 haoyunÉϰ¶ 2026-04-11 10/500 2026-04-13 22:15 by zhq0425
[¿¼ÑÐ] 288Çóµ÷¼Á£¬Ò»Ö¾Ô¸»ªÄÏÀí¹¤´óѧ071005 +21 ioodiiij 2026-04-08 21/1050 2026-04-13 20:40 by biomen
[¿¼ÑÐ] Çóµ÷¼Á +11 ºÎÆøÕý 2026-04-13 12/600 2026-04-13 20:14 by ѧԱJpLReM
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¹¤085600 331·Ö +7 ÌìÏÂww 2026-04-09 7/350 2026-04-13 09:01 by lhj2009
[¿¼ÑÐ] Çóµ÷¼Á +9 ³Ô¿Ú±ù¼¤Áè 2026-04-07 9/450 2026-04-13 08:46 by ×ÏêØ×ÏÆå
[¿¼ÑÐ] 368»¯Ñ§Çóµ÷¼Á +14 wwwwabcde 2026-04-07 15/750 2026-04-13 08:36 by lhj2009
[¿¼ÑÐ] ¡£ +10 Àî¶àÃ×lee. 2026-04-12 11/550 2026-04-12 22:58 by yuyin1233
[¿¼ÑÐ] ÉúÎïѧ308Çóµ÷¼Á +5 ÏàÐűػá¹ââÍòÕ 2026-04-11 5/250 2026-04-12 18:14 by zhouxiaoyu
[¿¼ÑÐ] 299Çóµ÷¼Á +8 ZVVZ13 2026-04-08 8/400 2026-04-12 00:40 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ҩѧר˶µ÷¼Á +8 ? һ·Éú?»¨? 2026-04-10 10/500 2026-04-11 21:21 by zhouxiaoyu
[¿¼ÑÐ] »¯Ñ§308·ÖÇóµ÷¼Á +22 ÄãºÃÃ÷ÌìÄãºÃ 2026-04-07 24/1200 2026-04-11 11:14 by ChemPharm
[¿¼ÑÐ] Çóµ÷¼Á +6 archer.. 2026-04-09 8/400 2026-04-11 10:55 by zhq0425
[¿¼ÑÐ] 263ÄÜÔ´¶¯Á¦×¨Ë¶Çóµ÷¼Á +3 ¼Ó´óºÅ·¹ºÐ´ü 2026-04-10 3/150 2026-04-10 22:23 by 286640313
[ÂÛÎÄͶ¸å] mdpiСÐÞrvrʱ¼äËÄÎåÌìÁË 20+3 ¹þ¹þhigh 2026-04-08 5/250 2026-04-10 16:02 by ±±¾©À³ÒðÈóÉ«
[¿¼ÑÐ] 293µ÷¼Á +25 yj1221 2026-04-08 26/1300 2026-04-10 15:02 by ²ñС°×
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¶«Ê¦·¶ÉúÎïѧ326·Ö£¬Çóµ÷¼Á +8 Áõīī 2026-04-09 8/400 2026-04-10 12:00 by pengliang8036
[¿¼ÑÐ] »úе»¹Óл¹ÓÐÃû¶îÂð£¿Ì«ÄÑÁË +6 ЦЦԬ 2026-04-10 6/300 2026-04-10 11:54 by ¸ßά´º
[¿¼ÑÐ] Çൺ¿Æ¼¼´óѧ²ÄÁÏѧԺ£¬»·¾³Ñ§Ôºµ÷¼Á²¹Â¼4ÔÂ10ÈÕÒÔǰ¶¼¿ÉÒÔ +3 1Çà¿Æ´ó¡£ 2026-04-09 5/250 2026-04-10 09:58 by ôæôæÒ»ÊéÉú
[¿¼ÑÐ] 325 µ÷¼Á +6 QQСϺ 2026-04-07 6/300 2026-04-07 15:17 by Ccclqqq
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û