Znn3bq.jpeg
²é¿´: 102  |  »Ø¸´: 2
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£

jieweiwei

Í­³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾ÇóÖú¡¿Êä³öÎļþµÄ¾¯Ê¾

*Warning* max. SCF cycles performed but system has not reached the groundstate.
  
Ïñ³öÏÖÕâÖÖ¾¯¸æÒâ˼ÊÇ˵SCFÈ¡µÄ²»¹»´ó¡£ÎÒÔö´óÁËÒÔºó»¹»á³öÏÖÕâÖÖ¾¯Ê¾¡£Ôõô°ìÄØ£¿SCF×î´óÄÜÈ¡¶àÉÙ£¿ÎÒÒѾ­È¡µ½200ÁË¡£
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

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

guokai6798

ľ³æ (СÓÐÃûÆø)

¡ï
zzgyb(½ð±Ò+1,VIP+0):ллÄãµÄ²ÎÓ룬»¶Ó­ÔٴιâÁÙ¼ÆËãÄ£Äâ°æ£¡
ÔÚÄãÈ¡µÄSCFÑ­»·²½ÊýÖÐÌåϵÄÜÁ¿Ã»ÓÐÊÕÁ²£¬ËùÒÔ³öÏÖÕâÖÖ´íÎó¡£ÄãÔÙÈ¡´óµã£¬»òÕß°ÑÊÕÁ²Ìõ¼þ½µµÍ
CM,JMC,AM,AFM
2Â¥2008-11-10 16:06:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

awpsr

½ð³æ (ÕýʽдÊÖ)

¿ì¿ìÀÖÀÖСÇà³æ

¡ï
zzgyb(½ð±Ò+1,VIP+0):ллÄãµÄ²ÎÓ룬»¶Ó­ÔٴιâÁÙ¼ÆËãÄ£Äâ°æ£¡
°ÑsmearingÈ¡´óµã¶ùÊÔÊÔ
ÊÀÉϱ¾Ã»ÓÐÈË£¬ ·×ß¶àÁ˱ã³ÉÁËÈË
3Â¥2008-11-10 16:18:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ jieweiwei µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 318Çóµ÷¼Á +13 ykyhsa 2026-04-05 15/750 2026-04-08 21:37 by wj165256
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ª´ó»¯Ñ§327Çóµ÷¼Á +12 ÍõÍõ°×ʯ 2026-04-06 13/650 2026-04-08 16:05 by luoyongfeng
[¿¼ÑÐ] ±¾¿ÆÖ£ÖÝ´óѧ£¬Ò»Ö¾Ô¸»ª¶«Ê¦·¶´óѧ282Çóµ÷¼Á +21 Ðܸçxtk 2026-04-07 24/1200 2026-04-08 09:48 by 123¿¼ÑÐ123
[¿¼ÑÐ] Çóµ÷¼Á +28 111623 2026-04-04 33/1650 2026-04-08 09:24 by ÔóÈó¶«·½
[¿¼ÑÐ] 326·Ö£¬Ò»Ö¾Ô¸»¦9£¬ÇóÉúÎïѧµ÷¼Á +4 Áõīī 2026-04-05 4/200 2026-04-08 06:22 by lijunpoly
[¿¼ÑÐ] 338Çóµ÷¼Á +5 СÖíºìÉ« 678 2026-04-06 6/300 2026-04-07 21:18 by ÇÇßÕßÕßÕ
[¿¼ÑÐ] ×÷ÔÔ330µ÷¼Á +3 ÎÒÒªÉϺÃѧ 2026-04-02 4/200 2026-04-07 19:54 by biomichael
[¿¼ÑÐ] ²ÄÁÏÇóµ÷¼Á +18 Ò»ÑùYWY 2026-04-05 18/900 2026-04-07 15:49 by dxlg
[¿¼ÑÐ] 081700»¯Ñ§¹¤³ÌÓë¼¼Êõ Ò»Ö¾Ô¸Öк£Ñó 323 Çóµ÷¼ÁѧУ +19 ÅûÐÇºÓ 2026-04-03 19/950 2026-04-07 15:14 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] »¯¹¤µ÷¼Á303·Ö£¬¹ýËļ¶ +34 ÆÜÎà´ý·ç 2026-04-02 34/1700 2026-04-07 12:30 by 1018329917
[¿¼ÑÐ] 333Çóµ÷¼Á +6 ºÏ³ËÑîϰϦ 2026-04-06 6/300 2026-04-07 09:44 by Öí»á·É
[¿¼ÑÐ] µÚÒ»Ö¾Ô¸¶«ÄÏ´óѧÎïÀí313£¬ÓпÆÑоºÈü»ñ½±¾­Àú£¬Ï£ÍûÎïÀí¸´ÊÔµ÷¼Á +3 ÂíÄÚ³È 2026-04-05 3/150 2026-04-06 10:32 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Çóµ÷¼Á +5 wos666 2026-04-03 5/250 2026-04-06 10:13 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÉúÎïÓëÒ½Ò©µ÷¼Á +4 Ê®Æßsa 2026-04-05 4/200 2026-04-05 20:05 by lys0704
[¿¼ÑÐ] ²ÄÁÏר˶(0856) 339·ÖÇóµ÷¼Á +10 ¹þ¹þ¹þ¶ì¹þ¹þ¹þ 2026-04-04 10/500 2026-04-05 18:51 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 313Çóµ÷¼Á +5 º£ÈÕº£ÈÕ 2026-04-04 7/350 2026-04-05 13:58 by imissbao
[¿¼ÑÐ] 272Çóµ÷¼Á +4 Ëɰس£Çà5 2026-04-03 4/200 2026-04-04 17:03 by babysonlkd
[¿¼ÑÐ] 350Ò»Ö¾Ô¸±±¾©º½¿Õº½Ìì´óѧ08500²ÄÁÏ¿ÆÑ§Ó빤³ÌÇóµ÷¼Á +5 kjnasfss 2026-04-03 5/250 2026-04-03 22:29 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 266·Ö£¬Ò»Ö¾Ô¸µçÆø¹¤³Ì£¬±¾¿Æ²ÄÁÏ£¬Çó²ÄÁÏרҵµ÷¼Á +9 ÍÛºôºßºôºß 2026-04-02 9/450 2026-04-03 12:05 by 1753564080
[¿¼ÑÐ] 320Çóµ÷¼Á +3 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-03 3/150 2026-04-03 11:40 by ÍÁľ˶ʿÕÐÉú
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û