±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 7441  |  »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

±¶¶ù°®Ð¡Ô²Á³

ľ³æ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

Â¥Ö÷~~¼ÆËãʱºòÌáʾûÓÐ.bvsÎļþ£¬ÇëÎÊÕâ¸öÎļþÊÇÔõôÉú³ÉµÄ£¿¸Ðл~~
28Â¥2016-04-15 10:17:26
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] 085600²ÄÁÏÓ뻯¹¤µ÷¼Á +23 kikiki7 2026-03-30 23/1150 2026-04-03 23:43 by hemengdong
[¿¼ÑÐ] ²ÄÁÏר˶322·Ö +13 ¹þ¹þ¹þºðºðºð¹þ 2026-04-01 13/650 2026-04-03 16:08 by ŶŶ123
[¿¼ÑÐ] »úеר˶297 +3 Afksy 2026-04-03 3/150 2026-04-03 14:24 by 1753564080
[¿¼ÑÐ] Çóµ÷¼Á +3 usbdndj 2026-04-03 3/150 2026-04-03 14:10 by dxiaoxin
[¿¼ÑÐ] 08¹¤¿Æ£¬295£¬½ÓÊÜ¿çרҵµ÷¼Á +8 lmnlzy 2026-03-30 8/400 2026-04-03 13:08 by nalakaiqi
[¿¼ÑÐ] 298·Ö 070300Çóµ÷¼Á +11 zwen03 2026-04-02 11/550 2026-04-03 10:19 by macy2011
[¿¼ÑÐ] 289Çóµ÷¼Á +4 Acesczlo 2026-03-29 5/250 2026-04-03 10:09 by ²»168
[¿¼ÑÐ] Çóµ÷¼Á£¡ÉúÎïÓëҽҩר˶ +4 Äæ×ªÂ½ÏÈÉú 2026-04-01 5/250 2026-04-03 08:33 by Jaylen.
[¿¼ÑÐ] 366Çóµ÷¼ÁÒ»Ö¾Ô¸¶«±±´óѧ +8 ÔËÆøÀ´µÃÈôÓÐËÆÎ 2026-04-02 8/400 2026-04-02 21:39 by dongzh2009
[¿¼ÑÐ] Ò»Ö¾Ô¸´ó¹¤Ñ§Ë¶£¬Çóµ÷¼Á +4 yub0811 2026-04-02 4/200 2026-04-02 21:36 by °ÙÁéͯ888
[¿¼ÑÐ] 085900ÍÁľˮÀû336·ÖÇóµ÷¼Á +4 Zhangjiangj 2026-03-31 6/300 2026-04-02 11:40 by 1753564080
[¿¼ÑÐ] 324Çóµ÷¼Á +5 ÏëÉÏѧÇóµ÷ 2026-04-01 6/300 2026-04-02 10:16 by sanrepian
[¿¼ÑÐ] ÍÁľ304Çóµ÷¼Á +6 ÍÃͻͻͻ£¬ 2026-03-31 7/350 2026-04-02 09:06 by coolminer
[¿¼ÑÐ] ÉúÎïѧ327£¬Çóµ÷¼Á +5 ÊéÉϵÄ÷×Ó 2026-04-01 6/300 2026-04-02 06:47 by ilovexiaobin
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +12 Ò»ÑùYWY 2026-04-01 12/600 2026-04-02 00:21 by °ÙÃë¹âÄê
[¿¼ÑÐ] ²ÄÁÏר˶306Ó¢Ò»Êý¶þ +7 z1z2z3879 2026-03-31 7/350 2026-04-01 14:50 by ZXlzxl0425
[¿¼ÑÐ] 070300»¯Ñ§×¨Òµ279µ÷¼Á +10 ¹þ¹þ¹þ^_^ 2026-03-31 10/500 2026-03-31 23:13 by liu823948201
[¿¼ÑÐ] 353Çóµ÷¼Á +3 ½­ÉÏ·ã_26 2026-03-28 3/150 2026-03-31 15:53 by jp9609
[¿¼ÑÐ] Ò»Ö¾Ô¸Öк£Ñó320»¯Ñ§¹¤³ÌÓë¼¼Êõѧ˶Çóµ÷¼Á +8 ÅûÐÇºÓ 2026-03-30 8/400 2026-03-31 08:53 by lbsjt
[¿¼ÑÐ] 11408Èí¼þ¹¤³ÌÇóµ÷¼Á +3 Qiuѧing 2026-03-28 3/150 2026-03-28 21:50 by zhq0425
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û