Znn3bq.jpeg
²é¿´: 693  |  »Ø¸´: 4

chwlp

ľ³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿Diamond »­Í¼³öÏÖÎÊÌâ ÒÑÓÐ2È˲ÎÓë

ÔÚDiamondÖе¼ÈëcifÎļþºóÖ»³öÏÖÒ»¸ö²»¶Ô³Æ½á¹¹»ùÔª£¬²»ÄܼÌÐøÍùÍâÉú³¤£¬ÇëÎʸÃÈçºÎ½â¾ö£¿Ð»Ð»
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

liuhaonk

½ð³æ (СÓÐÃûÆø)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
wsht212(½ð±Ò+1):лл½»Á÷£¬Ï£Íû³£À´£¡ 2010-08-04 10:34:40
Mostly, this is caused by a wrong definition of space group. Reselect the right space group from the "Structure->Space Group" menu.
2Â¥2010-08-04 10:32:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chwlp

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by liuhaonk at 2010-08-04 10:32:50:
Mostly, this is caused by a wrong definition of space group. Reselect the right space group from the "Structure->Space Group" menu.

ÎҰѿռäȺ¸ÄÁËÒÔºó£¬ËäÈ»Äܳ¤£¬µ«ÊǽṹÔõôҲ±äÁËÄØ£¿ÎÒÊǰ´ÕÕSHELXTLÀïµÄ¿Õ¼äȺ¸ÄµÄ£¬ÕâÊÇÕ¦»ØÊÂÄØ£¿
3Â¥2010-08-04 11:09:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liuhaonk

½ð³æ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
Originally posted by chwlp at 2010-08-04 11:09:31:

ÎҰѿռäȺ¸ÄÁËÒÔºó£¬ËäÈ»Äܳ¤£¬µ«ÊǽṹÔõôҲ±äÁËÄØ£¿ÎÒÊǰ´ÕÕSHELXTLÀïµÄ¿Õ¼äȺ¸ÄµÄ£¬ÕâÊÇÕ¦»ØÊÂÄØ£¿

All I can advice is triple check if the space group and cell parameters using in Diamond are consistent with those used to get the final structure.

Note that some space groups contain non-formal symbols.
4Â¥2010-08-04 11:28:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chwlp

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by liuhaonk at 2010-08-04 11:28:04:

All I can advice is triple check if the space group and cell parameters using in Diamond are consistent with those used to get the final structure.

Note that some space groups contain non-form ...

лл£¬Òѽâ¾ö£¡
5Â¥2010-08-04 14:44:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ xingchen2024 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸Öпƴó²ÄÁÏÓ뻯¹¤£¬353·Ö»¹Óе÷¼ÁѧУÂð +7 ·ñ¼«Ì©À´2026 2026-04-15 9/450 2026-04-16 13:40 by liumingli7817
[¿¼ÑÐ] ¼±Ðèµ÷¼Á +6 ¾ø²»·ÅÆú22 2026-04-15 6/300 2026-04-16 11:45 by lifeisbrave
[¿¼ÑÐ] 085404 298·ÖÇóµ÷¼Á +12 ºôÀ²ºôÀ²ºôºôºô 2026-04-10 13/650 2026-04-16 11:00 by °¢Îij¬
[¿¼ÑÐ] Ò»Ö¾Ô¸»¦9£¬ÉúÎïѧ326Çóµ÷¼Á +8 Áõīī 2026-04-15 8/400 2026-04-16 10:29 by Ô²ÐÄ602
[¿¼ÑÐ] ³õÊÔ324 ÖÐҩѧ Ò»Ö¾Ô¸ÌìÖÐÒ½ Çóµ÷¼Á +4 ÀîµÄLucky 2026-04-10 4/200 2026-04-16 09:22 by fqwang
[¿¼ÑÐ] Çóµ÷¼Á +11 СÄô°®Ñ§Ï° 2026-04-11 15/750 2026-04-15 21:57 by noqvsozv
[¿¼ÑÐ] 291 Çóµ÷¼Á +40 »¯¹¤2026½ì±ÏÒµÉ 2026-04-09 41/2050 2026-04-15 21:54 by noqvsozv
[¿¼ÑÐ] 297¹¤¿Æµ÷¼Á? +14 ºÓÄÏũҵ´óѧ-ÄÜ 2026-04-13 15/750 2026-04-15 13:25 by ºÚ¿Æ¼¼¿óÒµ
[¿¼ÑÐ] 297Çóµ÷¼Á +23 ORCHID1 2026-04-10 26/1300 2026-04-14 13:52 by ³ÂƤƤ
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÄÏÀí¹¤´óѧ331·Ö²ÄÁÏÇóµ÷¼Á +10 ÌìÏÂww 2026-04-09 11/550 2026-04-13 23:25 by pies112
[¿¼ÑÐ] BÇø0809 £¬ÊýÒ»Ó¢Ò»£¬290 Çóµ÷¼Á +3 ãöΫ1111 2026-04-12 4/200 2026-04-13 20:35 by ѧԱJpLReM
[¿¼ÑÐ] 326Çóµ÷¼Á +6 Shansyn 2026-04-10 6/300 2026-04-12 09:46 by hammer3
[¿¼ÑÐ] 359Çóµ÷¼Á +5 θ¾·ÂÎÀÛÁË 2026-04-11 5/250 2026-04-11 19:55 by lbsjt
[¿¼ÑÐ] ±¾ÈËÅ®º¢ +7 ºðºð£¬ 2026-04-10 9/450 2026-04-11 14:45 by ACS Nano¡ª¡ª
[¿¼ÑÐ] 311Çóµ÷¼Á +13 xypÏë¶ÁÊé 2026-04-10 14/700 2026-04-11 09:41 by Öí»á·É
[¿¼ÑÐ] ¿¼Ñе÷¼Á +26 ˶ÐǸ° 2026-04-09 27/1350 2026-04-10 22:24 by Öí»á·É
[¿¼ÑÐ] 083200 305·Ö Çó¶þÂÖµ÷¼Á ²»½ÓÊÜ¿çרҵ +9 Claireyyyy 2026-04-09 10/500 2026-04-10 21:21 by Claireyyyy
[¿¼ÑÐ] 368Çóµ÷¼Á +3 17385968172 2026-04-10 3/150 2026-04-10 20:12 by µç×Ӱµ±ë
[¿¼ÑÐ] 22408 366·Ö£¬±¾¿Æ211£¬Ò»Ö¾Ô¸Î÷¹¤´ó +4 Rubt 2026-04-09 4/200 2026-04-10 19:51 by chemisry
[¿¼ÑÐ] µ÷¼ÁÉêÇë086000Ò»Ö¾Ô¸Î÷±±Å©ÁֿƼ¼´óѧÉúÎïÓëÒ½Ò©320·Ö-±¾¿ÆÆë³¹¤Òµ´óѧ +3 ÃÀÃÀŮʿ 2026-04-09 3/150 2026-04-10 10:31 by liuhuiying09
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û