²é¿´: 1013  |  »Ø¸´: 5
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

chenxiankai

½û³æ (ÕýʽдÊÖ)

±¾ÌûÄÚÈݱ»ÆÁ±Î

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

zzy870720z

ÈÙÓþ°æÖ÷ (ÎÄ̳¾«Ó¢)

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
zsl_321123(½ð±Ò+1): ¸Ðл½¨Òé 2011-04-13 11:19:57
½á¹¹ÓÅ»¯²»ÊÕÁ²
CODE:
SCF iterations are not converged!

ÏȰѾ«¶È·ÅµÍÊÔÊÔ¿´
²©Ñ§¡¢ÉóÎÊ¡¢É÷˼¡¢Ã÷±æ¡¢óÆÑ§
3Â¥2011-04-13 09:55:43
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 6 ¸ö»Ø´ð

pengjiutian

½ð³æ (ÕýʽдÊÖ)

²»¶®£¡ÎÒÒ²ÊDzËÄñ
2Â¥2011-04-13 09:52:52
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chenxiankai

½û³æ (ÕýʽдÊÖ)

±¾ÌûÄÚÈݱ»ÆÁ±Î

4Â¥2011-04-13 10:08:27
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

haowenping

ľ³æ (ÖøÃûдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
Originally posted by chenxiankai at 2011-04-13 09:28:12:
ÇëÎÊÎÒÔÚµ¥»úÉÏÄܼÆË㣬µ«Êǽ«×÷Òµ±£´æºóÔÚ·þÎñÆ÷ÉϽøÐоͻá³öÏÖ´íÎó£¬ÒÔÏÂÊÇ´íÎ󣬲»ÖªÊÇΪʲô£¿
Error: SCF iterations are not converged!
Message: DMol3 job failed
Error: DMol3 exiting
Çë¸÷λʦÐÖʦ ...

Õâ¾Í¶ÔÁË£¬ÄãÊDz»ÊÇÖ±½Ó×öµÄÄÜ´ø¼ÆËãºÍ̬ÃܶȼÆËãµÄ£¿ÔÚ×öÕâ¸ö֮ǰ½á¹¹¿ÉÒÔ²»ÐèÒªÓÅ»¯£¬µ«ÊÇÒª×ö´Î¾²Ì¬¼ÆËãµÄ£¬ÄãÏÈ×ö´Î¾²Ì¬×ÔÇ¢¼ÆË㣬ÔÚ×öÄÜ´øºÍ̬ÃܶȼÆËãÓ¦¸Ã²»»á³öÎÊÌâÁË£¡
ÈËÓжà´óµ¨£¬µØÓжà´ó²ú£¡
5Â¥2011-04-13 15:01:34
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ 070300 ѧ˶ 336·Ö Çóµ÷¼Á +4 vvÃÔ 2026-03-22 4/200 2026-03-22 23:29 by king123£¡
[¿¼ÑÐ] 287Çóµ÷¼Á +8 ³¿»èÏßÓëÐǺ£ 2026-03-19 9/450 2026-03-22 17:01 by i_cooler
[¿¼ÑÐ] »·¾³Ñ§Ë¶288Çóµ÷¼Á +6 ƤƤƤ123456 2026-03-22 6/300 2026-03-22 16:52 by i_cooler
[¿¼ÑÐ] 324Çóµ÷¼Á +6 luckyѽѽѽѼ 2026-03-20 6/300 2026-03-22 16:01 by ColorlessPI
[¿¼ÑÐ] 305·ÖÇóµ÷¼Á£¨Ê³Æ·¹¤³Ì£© +4 Sxy112 2026-03-21 6/300 2026-03-22 15:26 by ÎÞи¿É»÷111
[¿¼ÑÐ] 291 Çóµ÷¼Á +3 »¯¹¤2026½ì±ÏÒµÉ 2026-03-21 3/150 2026-03-22 14:26 by ColorlessPI
[¿¼ÑÐ] Çóµ÷¼Á +5 Zhangbod 2026-03-21 7/350 2026-03-22 13:13 by Zhangbod
[¿¼ÑÐ] 303Çóµ÷¼Á +5 °²ÒäÁé 2026-03-22 6/300 2026-03-22 12:46 by ËØÑÕÇã³Ç1988
[¿¼ÑÐ] Çóµ÷¼Á +3 13341 2026-03-20 3/150 2026-03-21 18:28 by ѧԱ8dgXkO
[¿¼ÑÐ] 306Çó0703µ÷¼ÁÒ»Ö¾Ô¸»ªÖÐʦ·¶ +5 Ö½Óãly 2026-03-21 5/250 2026-03-21 17:11 by ѧԱ8dgXkO
[¿¼ÑÐ] 265Çóµ÷¼Á +3 Jack?k?y 2026-03-17 3/150 2026-03-21 03:17 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖпƼ¼´óѧ£¬080502£¬354·ÖÇóµ÷¼Á +5 ÊØºòϦÑôCF 2026-03-18 5/250 2026-03-21 01:06 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖØÇì´óѧ085700×ÊÔ´Óë»·¾³×¨Ë¶£¬×Ü·Ö308Çóµ÷¼Á +3 īīĮ 2026-03-18 3/150 2026-03-21 00:39 by JourneyLucky
[¿¼ÑÐ] 296Çóµ÷¼Á +6 www_q 2026-03-18 10/500 2026-03-20 23:56 by JourneyLucky
[¿¼ÑÐ] 290Çóµ÷¼Á +7 ^O^Ø¿ 2026-03-19 7/350 2026-03-20 21:43 by JourneyLucky
[¿¼ÑÐ] 0856µ÷¼Á£¬ÊÇѧУ¾ÍÈ¥ +8 sllhht 2026-03-19 9/450 2026-03-20 14:25 by ÎÞи¿É»÷111
[¿¼ÑÐ] Çóµ÷¼Á +3 °µÓ¿afhb 2026-03-16 3/150 2026-03-20 00:28 by ºÓÄÏ´óѧУÓÑ
[¿¼ÑÐ] ²ÄÁϹ¤³Ìר˶µ÷¼Á +5 204818@lcx 2026-03-17 6/300 2026-03-18 22:55 by 204818@lcx
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϾ©´óѧ£¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ì£¬µ÷¼Á +4 Jy? 2026-03-16 4/200 2026-03-17 11:02 by gaoqiong
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶Çóµ÷¼Á +6 Ì«Ïë½ø²½ÁË0608 2026-03-16 6/300 2026-03-16 16:13 by kykm678
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û