²é¿´: 2010  |  »Ø¸´: 15

souledge

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

¡ï ¡ï
fzx2008: ½ð±Ò+2, ר¼Ò¿¼ºË, лл½»Á÷£¡ 2012-04-28 13:13:51
ÒýÓûØÌû:
9Â¥: Originally posted by goldenfisher at 2012-04-28 12:50:13:
ÎÒûÓÐ˵Õâ²»ÊÇBCCÁË£¬ÕâÀïÊäÈëµÄ¾§Ìå¹¹ÐͺÍÔ­×Ó×ø±ê±ØÐëÅäÌס£»»¾ä»°Ëµ£¬Èç¹ûÄãÓÃibrav=3,Äã¾ÍÖ»ÐèÒª¸ø³öÒ»¸öÔ­×ÓµÄ×ø±ê¼´¿É£¬ÄǾÍÊÇ×ø±êÔ­µã¡£Èç¹ûÄãÓÃibrav=1,ÄÇÄã°Ñ²»µÈ¼ÛµÄÔ­×Ó×ø±ê¶¼¸ø³öÀ´£¬¾ÍÊÇlzÄÇÑù¡£¶þ ...

¹À¼ÆÕâÊǾ§ÌåѧºÍ¹ÌÌåÎïÀíµÄÒ»¸ö²î±ð¡£¹ÌÌåÎïÀí¿ÉÄÜÖ»¿´¸ñµã£¨¸öÈ˵ĹÌÌåÎïÀíÍêÈ«ÊÇ×Ôѧ£¬¿ÉÄܲ»ÊÇÌ«Çå³þ£©£¬ËùÒÔ³¬°ûÉõÖÁÊDzôÔÓ³¬°ûµÄ¶Ô³ÆÐÔÊÇÏàͬµÄ¡£µ«ÊǾ§ÌåѧµÄ¶Ô³ÆÐÔÔòÒªÇóÊǵȼ۸ñµãµÄ¶Ô³Æ£¬±ÈÈçµäÐ͵ÄCsCl½á¹¹£¬ºöÂÔ¸ñµãÀàÐÍ£¬¾ÍÊÇBCC½á¹¹£¬¶ø¿¼ÂǸñµãÀàÐÍ£¬ÔòÊÇSC½á¹¹¡£
˼ÏëÖØÓÚ¼¼ÇÉ£¬ÄÚº­ÖØÓÚ±íÏó
11Â¥2012-04-28 12:59:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

souledge

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

¡ï ¡ï
fzx2008: ½ð±Ò+2, ר¼Ò¿¼ºË, ллָ½Ì 2012-04-28 13:14:36
ÒýÓûØÌû:
10Â¥: Originally posted by goldenfisher at 2012-04-28 12:55:02:
ËùνSC£¬BCCºÍFCC£¬Ö»ÊÇÒ»¸öÃû³Æ£¬ºÎ±Ø¾ÐÄàÓÚÐÎʽ¡£¹Ø¼üÊÇÒª¸ãÇå³þÆäÖеÄÎïÀí¡£Èç¹û¼´ÓÃÁËBCC¹¹ÐÍ£¬ÓÖ¸ø³öÁ˲»µÈ¼ÛÔ­×ÓµÄ×ø±ê£¬´ó¼ÒÏëÏë»á³öÏÖʲôÇé¿ö£¿

Õâ¸öÊÇÏÔÈ»£¬ÓÃSC¡¢FCCµÈÊÇΪÁË·½±ã½¨Ä£ºÍÀí½â£¬µ«ÊÇûÓÐҲû¹ØÏµ£¬¾ÍËãÑ¡ÔñÁËibrav=14£¬Ö»Òªcelldm(i)ÉèÖúÏÀí£¬ÕÕÑù¿ÉÒÔ×é³ÉÆäËû¸÷Öֽṹ¡£Õâ¸ö¶ÔÓÚ½¨Ä£½á¹ûÊÇûÓÐÓ°ÏìµÄ¡£
ÎÒµÄÒâ˼ÊÇ£¬LZ¿ÉÄܲé×ÊÁÏ·¢ÏÖËûÒª×öµÄ½á¹¹ÊÇBCC½á¹¹ÁË£¬µ«ÊÇÈç¹ûÓÃibrav=1½¨Ä££¬µÃµ½µÄÊÇSC½á¹¹£¬¸úÒÑÖªµÄ²Î¿¼½á¹¹²»·û¡«
µ±È»ÁË£¬LZÒ²¹»ÄÇɶµÄ£¬¼ÈÈ»À´ÎÊÊÇ·ñ×ø±êÉèÖÃÓÐÎÊÌ⣬ÄǾ͸øø³ö²Î¿¼×ÊÁÏÖеÄԭʼ½á¹¹£¬¶ø²»ÊÇÈÃÎÒÃÇÔÚÕâÀï²ÂÊÇ·ñ½¨Ä£ÓÐÎÊÌâ¡£ÓÃLZµÄ²ÎÊý½¨Ä££¬µÃµ½µÄ½á¹¹µÄÈ·±È½ÏÆæ¹Ö£º
˼ÏëÖØÓÚ¼¼ÇÉ£¬ÄÚº­ÖØÓÚ±íÏó
12Â¥2012-04-28 13:08:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

goldenfisher

½ð³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
fzx2008: ½ð±Ò+1, ר¼Ò¿¼ºË, ллָ½Ì 2012-04-28 13:14:49
·Ç³£ºÃ£¬¾ÍÏñÂ¥ÉϵĽṹ£¬ÄǾÍÊÇÁ½¸öBCCµÄ½á¹¹Ç¶Ì×ÁË¡£ËùÒÔ£¬´ó¼ÒÓ¦¸ÃÃ÷°×ÁË...
13Â¥2012-04-28 13:12:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gemucai

ľ³æ (ÕýʽдÊÖ)

ÎҼǵÃÒ»¿ªÊ¼Ëã¹èµÄʱºò¾ÍÓÃÁËfcc½á¹¹£¬Ô­°ûÖÐÁ½¸öSiÒ»¸öÔÚ¶¥µã£¬Ò»¸öÔÚÔ­°ûµÄÌåÐÄλÖã¬Ò²ÊÇǶÌ׽ṹ¡£
14Â¥2012-04-28 14:51:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

souledge

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

¡ï ¡ï
fzx2008: ½ð±Ò+2, ר¼Ò¿¼ºË, ллָ½Ì 2012-04-28 16:12:59
ÒýÓûØÌû:
14Â¥: Originally posted by gemucai at 2012-04-28 14:51:55:
ÎҼǵÃÒ»¿ªÊ¼Ëã¹èµÄʱºò¾ÍÓÃÁËfcc½á¹¹£¬Ô­°ûÖÐÁ½¸öSiÒ»¸öÔÚ¶¥µã£¬Ò»¸öÔÚÔ­°ûµÄÌåÐÄλÖã¬Ò²ÊÇǶÌ׽ṹ¡£

SiÊǽð¸Õʯ½á¹¹£¬Ó¦¸ÃÊÇ
ibrav = 2,
Si1 0 0 0
Si2 1/4 1/4 1/4
µÄ²ÅÊÇ¡«
Ò»¸ö¶¥µãÒ»¸öÌåÐĵÄÊÇNaCl½á¹¹£¬Ò²½Ð×öB1½á¹¹£¬ËùÒÔNaClµÄ½¨Ä£ÊÇ£º
ibrav = 2,
Na 0 0 0
Cl 1/2 1/2 1/2
˼ÏëÖØÓÚ¼¼ÇÉ£¬ÄÚº­ÖØÓÚ±íÏó
15Â¥2012-04-28 14:58:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gemucai

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
15Â¥: Originally posted by souledge at 2012-04-28 14:58:51:
SiÊǽð¸Õʯ½á¹¹£¬Ó¦¸ÃÊÇ
ibrav = 2,
Si1 0 0 0
Si2 1/4 1/4 1/4
µÄ²ÅÊÇ¡«
Ò»¸ö¶¥µãÒ»¸öÌåÐĵÄÊÇNaCl½á¹¹£¬Ò²½Ð×öB1½á¹¹£¬ËùÒÔNaClµÄ½¨Ä£ÊÇ£º
ibrav = 2,
Na 0 0 0
Cl 1/2 1/2 1/2

ʱ¼ä³¤Á˲»¼ÇµÃÁË
16Â¥2012-04-28 15:56:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ Íõ½ðÈÙ1987 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ³õʼ318·ÖÇóµ÷¼Á£¨Óй¤×÷¾­Ñ飩 +3 1911236844 2026-03-17 3/150 2026-03-21 02:33 by JourneyLucky
[¿¼ÑÐ] »¯Ñ§Çóµ÷¼Á +4 ÁÙÔó¾³llllll 2026-03-17 5/250 2026-03-21 02:23 by JourneyLucky
[¿¼ÑÐ] 354Çóµ÷¼Á +5 Tyoumou 2026-03-18 8/400 2026-03-21 00:35 by JourneyLucky
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸:ÄϾ©º½¿Õº½Ìì´óѧ´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶£¬×Ü·Ö289·Ö +4 @taotao 2026-03-19 4/200 2026-03-20 22:14 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸ÎäÀí²ÄÁϹ¤³Ì348Çóµ÷¼Á +3 £þ^£þ©bº¹ 2026-03-19 4/200 2026-03-20 21:01 by zhukairuo
[¿¼ÑÐ] 265Çóµ÷¼Á +12 ÁºÁºÐ£Ð£ 2026-03-19 13/650 2026-03-20 21:01 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 289Çóµ÷¼Á +6 »³èªÎÕè¤l 2026-03-20 6/300 2026-03-20 20:30 by ѧԱ8dgXkO
[¿¼ÑÐ] Çóµ÷¼Á +3 @taotao 2026-03-20 3/150 2026-03-20 19:35 by JourneyLucky
[¿¼ÑÐ] »·¾³¹¤³Ìµ÷¼Á +9 ´ó¿Édigkids 2026-03-16 9/450 2026-03-20 17:38 by ×íÔÚ·çÀï
[¿¼ÑÐ] 08¹¤Ñ§µ÷¼Á +5 Óû§573181 2026-03-20 5/250 2026-03-20 15:47 by xia_2003
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +4 18889395102 2026-03-18 4/200 2026-03-19 16:13 by 30660438
[¿¼ÑÐ] 344Çóµ÷¼Á +6 knight344 2026-03-16 7/350 2026-03-18 20:13 by walc
[¿¼ÑÐ] ÉúÎïѧ071000 329·ÖÇóµ÷¼Á +3 ÎÒ°®ÉúÎïÉúÎﰮΠ2026-03-17 3/150 2026-03-18 10:12 by macy2011
[¿¼ÑÐ] ¿¼ÑÐÇóµ÷¼Á +3 éÙËÌ. 2026-03-17 4/200 2026-03-17 21:43 by ÓÐÖ»ÀêÅ«
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁϹ¤³Ì£¨085601£©×¨Ë¶ÓпÆÑо­ÀúÈýÏî¹ú½±Á½¸öʵÓÃÐÍרÀûÒ»ÏîÊ¡¼¶Á¢Ïî +6 ´ó»ðɽС»ðɽ 2026-03-16 8/400 2026-03-17 15:05 by ÎÞи¿É»÷111
[¿¼ÑÐ] 0854¿ØÖƹ¤³Ì 359Çóµ÷¼Á ¿É¿çרҵ +3 626776879 2026-03-14 9/450 2026-03-16 17:42 by 626776879
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶Çóµ÷¼Á +6 Ì«Ïë½ø²½ÁË0608 2026-03-16 6/300 2026-03-16 16:13 by kykm678
[¿¼ÑÐ] 070303 ×Ü·Ö349Çóµ÷¼Á +3 LJY9966 2026-03-15 5/250 2026-03-16 14:24 by xwxstudy
[¿¼ÑÐ] 26¿¼ÑÐÒ»Ö¾Ô¸ÖйúʯÓÍ´óѧ(»ª¶«)305·ÖÇóµ÷¼Á +3 ¼ÎÄêÐÂ³Ì 2026-03-15 3/150 2026-03-15 13:58 by ¹þ¹þ¹þ¹þºÙºÙºÙ
[¿¼ÑÐ] 289Çóµ÷¼Á +4 ÕâôÃû×ÖÕ¦Ñù 2026-03-14 6/300 2026-03-14 18:58 by userper
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û