±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 3593  |  »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

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
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

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

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] µ÷¼Á310 +13 ÎÂÈáµÄÍí°² 2026-03-25 14/700 2026-03-31 13:03 by ¼Çʱ¾2026
[¿¼ÑÐ] 285Çóµ÷¼Á +6 AZMK 2026-03-30 10/500 2026-03-31 11:41 by AZMK
[¿¼ÑÐ] Ò»Ö¾Ô¸´óÁ¬Àí¹¤´óѧ£¬»úе¹¤³Ìѧ˶£¬341 +3 Î÷¹ÏÌïµÄÊØÍûÕß 2026-03-30 3/150 2026-03-31 11:08 by asdfzly
[¿¼ÑÐ] 322Çóµ÷¼Á +9 ¾É… 2026-03-24 9/450 2026-03-31 10:57 by ¼Çʱ¾2026
[¿¼ÑÐ] 282Çóµ÷¼Á +3 ºôÎü¶¼ÊǼõ·Ê 2026-03-31 3/150 2026-03-31 10:00 by wangjy2002
[¿¼ÑÐ] ²ÄÁÏѧ˶333Çóµ÷¼Á +18 ±±µÀÏï 2026-03-24 18/900 2026-03-31 09:56 by luoyongfeng
[¿¼ÑÐ] Ò»Ö¾Ô¸ ÄϾ©º½¿Õº½Ìì´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶ +5 @taotao 2026-03-30 5/250 2026-03-31 09:41 by zhshch
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤µ÷¼ÁÒ»Ö¾Ô¸´óÁ¬º£ÊÂ085600£¬349 +6 ³ÔµÄ²»ÉÙ 2026-03-30 6/300 2026-03-31 04:17 by fmesaito
[¿¼ÑÐ] ²ÄÁÏ¿ÆÑ§Ó빤³ÌÇóµ÷¼Á +10 ÉîVËÞÉá°É 2026-03-29 10/500 2026-03-31 04:08 by fmesaito
[¿¼ÑÐ] 309Çóµ÷¼Á +15 Ë­²»ÊÇÉÙÄê 2026-03-29 15/750 2026-03-30 19:28 by 2026²ÄÁϵ÷¼Á
[¿¼ÑÐ] 085602 »¯Ñ§¹¤³Ìר˶ 340·ÖÇóµ÷¼Á +4 qianbai11 2026-03-29 4/200 2026-03-30 11:34 by ÌÆãå¶ù
[¿¼ÑÐ] 348Çóµ÷¼Á +6 СÀÁ³æ²»ÀÁÁË 2026-03-28 6/300 2026-03-30 10:29 by Evan_Liu
[¿¼ÑÐ] 311Çóµ÷¼Á +10 lin0039 2026-03-26 10/500 2026-03-30 10:26 by herarysara
[¿¼ÑÐ] 332Çó92µ÷¼Á +8 ½¶½¶123 2026-03-28 8/400 2026-03-29 10:46 by ÖÜè÷µ¤
[¿¼ÑÐ] 312£¬ÉúÎïѧÇóµ÷¼Á +3 СÒëͬѧabc 2026-03-28 3/150 2026-03-28 15:32 by ÂäÉ˼
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϾ©º½¿Õº½Ìì´óѧ²ÄÁÏѧ˶Çóµ÷¼Á +3 @taotao 2026-03-28 3/150 2026-03-28 10:26 by JourneyLucky
[¿¼ÑÐ] 0703»¯Ñ§Çóµ÷¼Á£¬¸÷λÀÏʦ¿´¿´ÎÒ£¡£¡£¡ +5 Æîì÷ì÷ 2026-03-25 5/250 2026-03-27 21:44 by ¶«·½ÖíÖí
[¿¼ÑÐ] 0856µ÷¼Á +5 ÇóÇóÈÃÎÒÓÐÊé¶Á° 2026-03-26 6/300 2026-03-27 15:12 by caszguilin
[¿¼ÑÐ] 085601Çóµ÷¼Á×Ü·Ö293Ó¢Ò»Êý¶þ +4 ¸ÖÌú´óÅÚ 2026-03-24 4/200 2026-03-26 16:28 by dick_runner
[¿¼ÑÐ] Ò»Ö¾Ô¸±±»¯315 Çóµ÷¼Á +3 akrrain 2026-03-24 3/150 2026-03-24 19:35 by ÁËÁËÁËÁË¡£¡£
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û