²é¿´: 1012  |  »Ø¸´: 6
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

lil33931687

ľ³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾Çë½Ì¡¿CÀà´íÎó ÒÑÓÐ4È˲ÎÓë

1. Alert C: centre of gravity is not within unit cell: you have to shift all coordinates accordingly and re-refine the structure, then upload the new cif.
2 Please check the su's of the cell parameters. Looks as if the values given are not correct.  
Çë½ÌÅ£È˸ÃÔõôÐ޸ģ¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

lil33931687

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by wudh at 2010-08-26 15:11:42:
¿ÉÔÚXPÖÐͨ¹ýENVI,SGENÖ¸Áî²úÉúеĶԳƷÖ×Ó£¬ÔÙɾ³ýÏÖÓзÖ×Ó£¬ÔÙ¾«ÐÞ¼´¿É

лл»Ø¸´£¡µ«ÎҵķÖ×ÓÒѾ­ÍêÕû£¬envi²»»á³öÏÖÆäËûÁíÍâµÄÔ­×Ó£¬¸ü±ð˵sgenÁË£¬µ½µ×¸ÃÔõôÓ㬻¹Çë˵Ïêϸһµã£¡
3Â¥2010-08-30 13:07:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 7 ¸ö»Ø´ð

wudh

гæ (³õÈëÎÄ̳)

CÀà´íÎó

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
wsht212(½ð±Ò+1):лл½»Á÷£¬Ï£Íû³£À´£¡ 2010-08-30 17:42:02
¿ÉÔÚXPÖÐͨ¹ýENVI,SGENÖ¸Áî²úÉúеĶԳƷÖ×Ó£¬ÔÙɾ³ýÏÖÓзÖ×Ó£¬ÔÙ¾«ÐÞ¼´¿É
2Â¥2010-08-26 15:11:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sunjing120

Ìú¸Ëľ³æ (СÓÐÃûÆø)

ÀÏ̫̫

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
wsht212:лл½»Á÷£¬Ï£Íû³£À´£¡ 2010-08-30 17:42:21
ÎÒÒÔǰ³öÏÖ¹ý´ËÀàÎÊÌ⣬һÀÏʦÈÃÎÒ¼ÓÒ»MOVEÖ¸ÁÄãÇë½ÌÒ»ÏÂÉí±ßµÄÀÏʦ¼´¿É
sunjing
4Â¥2010-08-30 14:14:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lil33931687

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by sunjing120 at 2010-08-30 14:14:42:
ÎÒÒÔǰ³öÏÖ¹ý´ËÀàÎÊÌ⣬һÀÏʦÈÃÎÒ¼ÓÒ»MOVEÖ¸ÁÄãÇë½ÌÒ»ÏÂÉí±ßµÄÀÏʦ¼´¿É

ÎÒ¼ÓÁËmoveÖ¸ÁîÒ²»¹ÊDz»ÐУ¬ÄãÊÇÔõôÓõİ¡£¬Ð»Ð»£¡
5Â¥2010-09-07 10:41:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[»ù½ðÉêÇë] ÎÒ²»Àí½â£¡ +15 Edward_pc 2026-08-26 23/1150 2026-08-26 20:34 by zzuzxg
[»ù½ðÉêÇë] 2026ÄêµÄ¹ú¼ÒÉç¿Æ»ù½ðÏîĿͨѶÆÀÉóµÄйæÔòÓëж¯Ïò¡¢ÐÂÌôÕ½ +7 process2012 2026-08-23 10/500 2026-08-26 19:23 by hmhminy
[»ù½ðÉêÇë] ϵͳ²é²»µ½ +10 ¶­°Ëǧ 2026-08-26 10/500 2026-08-26 16:30 by Equinoxhua
[»ù½ðÉêÇë] 2026Äê8ÔÂ25ÈÕ¹ú×ÔÈ»·Å°ñǰͻȻÊÕµ½ÁÐÈëÆÀÉóר¼ÒÓʼþ£¬ÓйØÏµÂ𣿠+25 ľˮ˼¶¹ 2026-08-25 28/1400 2026-08-26 14:53 by draco1987
[»ù½ðÉêÇë] ÄÜ·ñÍ˳ö²ÎÓëµÄÃæÉÏÏîÄ¿½â³ýÏÞÏî +23 koalala 2026-08-24 26/1300 2026-08-26 14:29 by ±¦±´³æ×Ó
[»ù½ðÉêÇë] ÄÄλ¸ßÈËÖÐÁË£¬°Ñ²éѯµ½µÄ½ØÍ¼Ìù³öÀ´ÈÃÎÒ¿´¿´£¬ÈÃÎÒ³¤³¤¼ûʶ +4 yuleib84 2026-08-26 5/250 2026-08-26 13:40 by yuleib84
[»ù½ðÉêÇë] ¹ú¼ÊºÏ×÷¿É²éÁË£¬ÖÐÁËÃæÉÏ +18 Ldrop2023 2026-08-26 18/900 2026-08-26 11:15 by cmrandy
[»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] 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] ¹úºÏÏÖÔڲ鲻µ½ÁËÂ𣿠+10 chengyan1220 2026-08-24 20/1000 2026-08-26 08:57 by peasantsprig
[»ù½ðÉêÇë] Å£À´£¡Ã×À´£¡ÃæÀ´£¡ +8 beefly 2026-08-26 8/400 2026-08-26 08:37 by xuzhipiao
[»ù½ðÉêÇë] Ã÷ÌìÓ¦¸Ã¿É²éÁË£¡£¿ +6 chengyan1220 2026-08-23 6/300 2026-08-25 19:45 by zfd97
[»ù½ðÉêÇë] ÈËÆø²»ÐÐÁË +11 fansofjerry 2026-08-21 11/550 2026-08-25 11:04 by ¹Â¶ÀµÄÓ¢ÐÛ6
[½Ìʦ֮¼Ò] µ¼Ê¦Í²ۣºÎÒÔõô̯ÉÏÁËÕâô¸ö¼«Æ·Ñо¿Éú£¡ +3 ËÕ¶«ÆÂ¶þÊÀ 2026-08-23 3/150 2026-08-25 10:35 by shisan1313
[»ù½ðÉêÇë] ÎÒÃæÉÏÍêµ°ÁË +13 ÇÒÌý»¢Ð¥ 2026-08-20 14/700 2026-08-25 09:10 by mrkang
[»ù½ðÉêÇë] ½¨Òé»ù½ð·¢²¼Ìáǰ¸ø³öÃ÷È·µÄʱ¼äµã +13 kulium 2026-08-21 16/800 2026-08-24 16:27 by superceng
[»ù½ðÉêÇë] ¿´À´½ñÌì²»»á·Å°ñÁË£¿ +8 chengyan1220 2026-08-21 11/550 2026-08-21 17:52 by dcqxinyang
[»ù½ðÉêÇë] »ù½ð°¡»ù½ð +4 longfie172 2026-08-20 4/200 2026-08-21 08:58 by mark mao
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û