24СʱÈÈÃŰæ¿éÅÅÐаñ    

²é¿´: 827  |  »Ø¸´: 3

ü·å

Í­³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾ÇóÖú¡¿Ä£ÐͶԳÆÐÔ ÒÑÓÐ2È˲ÎÓë

¶ÔÒ»ÖÖ½¨ºÃµÄ³¬¾§¸ñ×öÁËÒ»¸öÔ­×ÓµÄÌæÎ»²ôÔÓ£¬²Ù×÷˳ÐòΪÏÈÒýÈë¾§Ìåµ¥°û£¬ÔÙmp1£¬È»ºósupercell×ö³ö³¬¾§°û£¬×îºóÌæ´ú£¬²¢rebuild crystal¡£ÕâÑùÊDz»ÊǺܱ¿£¿³ÌÐò¶ÔÂ𣿵«ÊÇ´ËʱÔËËãµÄ»°£¬Ìáʾ³ö´íÐÅÏ¢£¬symmetry ÎÊÌâ
-----------------------------
                               Symmetry and Constraints
                           -------------------------------

         There are no symmetry operations specified or generated for this cell
         There are no ionic constraints specified or generated for this cell

                        Centre of mass is NOT constrained

                         Number of cell constraints= 0
                         Cell constraints are:  1 2 3 4 5 6
ÊDz»ÊÇÈÏΪģÐÍʧȥÁ˶ԳÆÐÔ£¿ÔõÑùÕýÈ·µØ°ÑÌæ´úºóµÄÄ£ÐÍ×÷ΪеÄÒ»¸öµ¥°û½¨Á¢ÒÔËüΪÖÜÆÚÐԵľ§Ì壬ÔõÑù²ÅÄÜÕýÈ·µØËãÏÂÈ¥ÄØ£¿
лл£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

carlaty

½ð³æ (ÕýʽдÊÖ)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
zzy870720z(½ð±Ò+1):ллÌáʾ 2010-07-19 07:52:36
ÓбØÒª×îºóÔÙrebuild crystal
2Â¥2010-07-18 20:28:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ü·å

Í­³æ (СÓÐÃûÆø)

лл¥ÉÏ¡£¿ÉÊÇrebuild crystalÓвÙ×÷£¬µ«²»ÖªÊDz»ÊÇÕýÈ·£¬¾ÍÊÇÖ±½ÓʹÓÃsymmetryÖеÄrebuild crystal,µ«ÎªÊ²Ã´Ñ¡¶¨¶Ô³ÆÈºÊ±»áÔö¼ÓÔ­×ÓÄØ£¿ºÜÆæ¹Ö

[ Last edited by ü·å on 2010-7-19 at 10:03 ]
3Â¥2010-07-19 08:21:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ü·å

Í­³æ (СÓÐÃûÆø)

ÎÒ¾õµÃ£¬´Ëʱ½¨ÆðµÄÓ¦¸ÃÊÇÒ»¸öµ¥Ôª£¬²»ÖªÊDz»ÊÇÖ±½ÓʹÓÃÈýб¾§ÏµµÄ1²Ù×÷¡£µ«Èç´Ë½¨Æðºó¼ÆËã¾Í»áÌáʾ¶Ô³ÆÐÔµÄÄǸö´íÎó¡£ÇóÖ¸µã¡£

[ Last edited by ü·å on 2010-7-19 at 11:15 ]
4Â¥2010-07-19 11:11:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ü·å µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[»ù½ðÉêÇë] ͶƱ:  ÓжàÉÙÈËÊǽñÌì²éϵͳ֪µÀ½á¹ûµÄ£¿ +15 °®¿´ÊéµÄ¿ÉÀÖ 2026-08-26 17/850 2026-08-26 21:15 by xxniao123
[»ù½ðÉêÇë] ¹ú×ÔÈ»ÃæÉϸ´ÅÌ~»¶Ó­ÌÖÂÛ +3 ÇçÌì¼ÓÓÍ 2026-08-26 4/200 2026-08-26 17:59 by Tide man
[»ù½ðÉêÇë] ϵͳ²é²»µ½ +10 ¶­°Ëǧ 2026-08-26 10/500 2026-08-26 16:30 by Equinoxhua
[»ù½ðÉêÇë] ³öÀ´ÁË +9 trojank 2026-08-26 9/450 2026-08-26 14:25 by ±¦±´³æ×Ó
[»ù½ðÉêÇë] ¿ÆÑй¶ùÌ«ÄÑÁË +21 ÎÒ4´ó°×²Ë 2026-08-20 22/1100 2026-08-26 11:29 by nlgza
[»ù½ðÉêÇë] ÏîÄ¿ÐÅÏ¢ºÍ¾­·ÑÐÅÏ¢ÔÚϵͳÀï¶¼¿ÉÒÔ¿´µ½ÁË +6 wittyboy 2026-08-26 14/700 2026-08-26 10:55 by wittyboy
[»ù½ðÉêÇë] Ôõô¿´Çà»ùÖÐÁËûÓа¡ +4 Ò¶¾Å΢ 2026-08-26 4/200 2026-08-26 10:52 by xiacongxu
[»ù½ðÉêÇë] ¹úºÏ¿É²éÁË +3 paperzjh 2026-08-26 3/150 2026-08-26 10:41 by LemmonTr
[»ù½ðÉêÇë] ½ñÌìÎñί»á¿ªÍêÁË£¬Ã÷Ìì³ö½á¹ûÂð +19 angus9576 2026-08-25 23/1150 2026-08-26 10:03 by zp519
[Ö°³¡ÈËÉú] ѧÉúײ¼û¸¨µ¼Ô±ËÍÍâÂô£¬µÚ¶þÌìÈ«°à¶¼³ÁĬÁË +3 ¾¨ÓãÈÚ½ð_Õã½­_É 2026-08-22 3/150 2026-08-26 09:01 by zzuzxg
[»ù½ðÉêÇë] Å£À´£¡Ã×À´£¡ÃæÀ´£¡ +8 beefly 2026-08-26 8/400 2026-08-26 08:37 by xuzhipiao
[»ù½ðÉêÇë] ÔÚ¼á±ù»¹¸Ç×ű±º£µÄʱºò£¬ÎÒ¿´µ½ÁËÅ­·ÅµÄ÷»¨¡£ (½ð±Ò+10) +6 ziyangfang 2026-08-25 9/450 2026-08-25 20:26 by huagongfeihu
[»ù½ðÉêÇë] Ã÷ÌìÓ¦¸Ã¿É²éÁË£¡£¿ +6 chengyan1220 2026-08-23 6/300 2026-08-25 19:45 by zfd97
[»ù½ðÉêÇë] ijЩ»ú¹¹£¬ÒÔЧÂʵÍΪÈÙ£¬ÒÔЧÂʵÍ×÷Ϊ´æÔڸР+9 yuleib84 2026-08-25 10/500 2026-08-25 17:14 by alexon
[»ù½ðÉêÇë] Èç¹û´Ë¿ÌÄãÕýÔÚΪ¹ú»ù¸Ðµ½½¹ÂÇ£¬²»·ÁÀ´ÌýÌýÕâÊס¶»ù½ðÖ®Íâ¡· +8 scalable 2026-08-24 8/400 2026-08-25 12:52 by jnhyjjm
[½Ìʦ֮¼Ò] µ¼Ê¦Í²ۣºÎÒÔõô̯ÉÏÁËÕâô¸ö¼«Æ·Ñо¿Éú£¡ +3 ËÕ¶«ÆÂ¶þÊÀ 2026-08-23 3/150 2026-08-25 10:35 by shisan1313
[»ù½ðÉêÇë] ÈÃÎÒÖÐÒ»¸öÃæÉϰɣ¡ +13 ´óƼ1987 2026-08-20 16/800 2026-08-24 10:23 by ̫ɵÁË
[½Ìʦ֮¼Ò] Ìø²ÛºóÔÚÑÐÏîÄ¿Ôõô°ì£¿ +5 ¼òµ¥»¯xn 2026-08-22 10/500 2026-08-23 12:38 by ¼òµ¥»¯xn
[»ù½ðÉêÇë] Ó¦¸ÃÊÇÏÂÖÜÈý26ÈÕ¹«²¼Á˰ɣ¿ +4 ¹þ¹þ¸ò£¿ 2026-08-21 4/200 2026-08-21 10:58 by Vivilian
[»ù½ðÉêÇë] »ù½ð°¡»ù½ð +4 longfie172 2026-08-20 4/200 2026-08-21 08:58 by mark mao
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û