±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 7490  |  »Ø¸´: 31
¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û13´Î£¬×÷Õßxujun16Ôö¼Ó½ð±Ò 9.8 ¸ö
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

xujun16

Òø³æ (ÖøÃûдÊÖ)


[×ÊÔ´] ¡¾·ÖÏí¡¿fullprof--bond valence calculation

Ï£ÍûÄܶԴó¼ÒÓÐËù°ïÖú£¡
fulllprof Ó¦ÓÃÊÖ²áÖ®Ò» profile fitting!
fulllprof Ó¦ÓÃÊÖ²áÖ®¶þ ¼ü¼Û¼ÆËã!
example file!
first, input CIF. Then input parameters below! you will get what you want!then open the *.bvs file, you can find the bond valence!
good luck! everyone!





[ Last edited by xujun16 on 2010-5-27 at 21:46 ]
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

MOFsÏà¹Ø±Ø¶Á-¾§ÌåÉú³¤ ¿ÆÑа¡ ŬÁ¦°¡ Ï£ÍûÓÐÓð¡ ¾«»ªÌû-ºÃ×ÊÔ´ Çཷ²»À± À±½·²»Çà
ʵÑé¼¼Êõ ¿¼ÑÐÕæÌ⠽ṹ·ÖÎöÈí¼þѧϰ ÍØÆË
Êé¶ÁÈËÉú·£¬Ô˽»ÌìÏÂÅó£¡ ¹¤×÷

» ²ÂÄãϲ»¶

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

leexjing

Í­³æ (СÓÐÃûÆø)


¡ï¡ï¡ï ÈýÐǼ¶,Ö§³Ö¹ÄÀø

profile fitting µÄÌû×ÓÕÒ²»µ½°¡£¿LZ·½±ãµÄ»°¸ø¸öÁ´½Ó°É£¬Ð»Ð»À²
17Â¥2011-06-03 12:09:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 32 ¸ö»Ø´ð

sd71469190

ľ³æ (ÖøÃûдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

·Ç³£¸Ðл¥Ö÷µÄ»ý¼«ÏìÓ¦£¬´ó¼Ò¶¼Òª¸øºÃµÄÆÀ¼Û°¢
2Â¥2010-05-27 21:42:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sd71469190

ľ³æ (ÖøÃûдÊÖ)


·Ç³£Ææ¹ÖÎÒµÄcifÊäÈëºó¾Í¼ÆËã²»³öÀ´ÀýÈç valenceµÈ²ÎÊý°¢£¿ÕâÊÇÔõô»ØÊÂÂ¥Ö÷-
3Â¥2010-05-27 21:43:14
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sd71469190

ľ³æ (ÖøÃûдÊÖ)


ÁíÍâÄãÓõÄÈí¼þ»¹ÊÇÄǸöBAND-STR?  Â¥Ö÷ÄÜ·ñ˵µÄÏêϸµãÄÅ£¿
4Â¥2010-05-27 21:44:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡î ÎÞÐǼ¶ ¡ï Ò»ÐǼ¶ ¡ï¡ï¡ï ÈýÐǼ¶ ¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Çóµ÷¼Á +9 Hllºú 2026-04-04 9/450 2026-04-05 13:31 by wwytracy
[¿¼ÑÐ] Ò»Ö¾Ô¸ ÄϾ©º½¿Õº½Ìì´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶ +8 @taotao 2026-03-30 8/400 2026-04-05 11:15 by ·çÓêÎÞÇç
[¿¼ÑÐ] 288Çóµ÷¼Á£¬Ò»Ö¾Ô¸»ªÄÏÀí¹¤´óѧ071005 +6 ioodiiij 2026-04-04 6/300 2026-04-05 10:09 by guoweigw
[¿¼ÑÐ] µ÷¼Á +8 ÐܶþÏëÉϰ¶ 2026-04-04 8/400 2026-04-05 05:27 by houyaoxu
[¿¼ÑÐ] 325Çóµ÷¼Á +4 ´º·ç²»½èÒâ 2026-04-04 4/200 2026-04-04 22:08 by à£à£à£0119
[¿¼ÑÐ] »·¾³¿ÆÑ§Ó빤³Ì334·ÖÇóµ÷¼Á +9 ÍõÒ»Ò»ÒÀÒÀ 2026-03-30 12/600 2026-04-04 20:55 by dongzh2009
[¿¼ÑÐ] 309Çóµ÷¼Á +6 ÁõÁõÁõ1231 2026-04-02 7/350 2026-04-04 13:41 by liucky
[¿¼ÑÐ] ÍÁľ304Çóµ÷¼Á +4 ÍÃͻͻͻ£¬ 2026-03-31 4/200 2026-04-04 13:34 by 1753564080
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉúÎïÓëÒ½Ò©£¬296·Ö£¬Çóµ÷¼Á +8 66¹ 2026-04-03 9/450 2026-04-03 14:22 by »¯Ñ§»¯¹¤Ë¶Ê¿ÕÐÉ
[¿¼ÑÐ] 0705Àíѧ294Çóµ÷¼Á +3 ³É¹û³É¹ûcg5 2026-04-03 3/150 2026-04-03 14:04 by simons1972
[¿¼ÑÐ] ½¨»·£¬ÄÜÔ´£¬ÍÁľÀÏʦ·¹ý¿´Ò»¿´£¡£¡£¡ +5 ºÙºÙuu 2026-04-01 5/250 2026-04-03 11:47 by znian
[¿¼ÑÐ] һ־Ըɽ¶«´óѧ»¯Ñ§Ó뻯¹¤Ñ§Ôº²ÄÁÏÓ뻯¹¤×¨Ë¶£¬360·ÖÇóµ÷¼Á +4 ²»Ô¸Í¸Â¶ÐÕÃûµÄË 2026-04-02 4/200 2026-04-03 09:29 by ÒÅÍüÏûʧµÄž™
[¿¼ÑÐ] µ÷¼Á +7 ìíáº. 2026-04-02 7/350 2026-04-03 09:11 by »¨ß»¹Ç·600
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼´óѧ²ÄÁÏѧ˶328·ÖÇóµ÷¼Á +6 1¶Îʱ¼ä 2026-03-31 7/350 2026-04-02 13:57 by 3041
[¿¼ÑÐ] ²ÄÁϹ¤³Ì322·Ö +8 ¹þ¹þ¹þºðºðºð¹þ 2026-04-01 8/400 2026-04-02 11:53 by 3041
[¿¼ÑÐ] Ò»Ö¾Ô¸9³õÊÔ366 ±¾Ë«·ÇÇóµ÷¼Á +4 ÔËÆøÀ´µÃÈôÓÐËÆÎ 2026-04-02 4/200 2026-04-02 09:56 by guanxin1001
[¿¼ÑÐ] 379Çóµ÷¼Á +3 ?¿à¹Ï²»¿à 2026-04-01 3/150 2026-04-01 20:09 by ÄºÔÆÇ庮
[¿¼ÑÐ] 339Çóµ÷¼Á +5 zjjkt 2026-03-31 5/250 2026-04-01 09:18 by JourneyLucky
[¿¼ÑÐ] 297 µØÀíѧ070500 ¸´ÊÔÇóµ÷¼Á +3 СԲȦȦooo 2026-03-30 3/150 2026-03-30 21:05 by ÓàÕðyz
[¿¼ÑÐ] Çóµ÷¼Á +10 ¼Ò¼Ñ¼Ñ¼Ñ¼Ñ¼Ñ 2026-03-29 10/500 2026-03-30 18:34 by 544594351
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û