±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 7456  |  »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
ÇëÎÊÂ¥Ö÷ ÎÒÓõÄÊÇbond-strÈí¼þ£¬ÊäÈëµãrunºóÌáʾȱÉÙ**.bvsÎļþ ÊÇÔõô»ØÊ£¿
23Â¥2015-06-20 10:49:46
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] 265Çóµ÷¼Á +20 ÁºÁºÐ£Ð£ 2026-04-01 21/1050 2026-04-04 00:38 by userper
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +8 Ò»ÑùYWY 2026-04-03 8/400 2026-04-03 21:46 by lbsjt
[¿¼ÑÐ] 320µ÷¼Á +4 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-03 4/200 2026-04-03 21:40 by lbsjt
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +7 ÏàÐűػá¹ââÍòÕ 2026-04-02 7/350 2026-04-03 16:48 by rzh123456
[¿¼ÑÐ] 085404×Ü·Ö289£¬Çóµ÷¼Á +3 Acesczlo 2026-03-29 3/150 2026-04-03 14:41 by µªÆøÆøÆø
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +3 bvzz 2026-04-01 3/150 2026-04-03 09:47 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ²ÄÁÏ¿¼Ñе÷¼Á +10 Gs´óÍõ 2026-04-02 10/500 2026-04-03 09:47 by ÒÅÍüÏûʧµÄž™
[¿¼ÑÐ] ¡£ +4 ÎíÓ뺣 2026-04-02 5/250 2026-04-02 19:16 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 413Çóµ÷¼Á +3 ¿Âijij 2026-03-31 3/150 2026-04-02 16:59 by zzsw+
[¿¼ÑÐ] 266·Ö£¬Ò»Ö¾Ô¸µçÆø¹¤³Ì£¬±¾¿Æ²ÄÁÏ£¬Çó²ÄÁÏרҵµ÷¼Á +4 ÍÛºôºßºôºß 2026-04-02 4/200 2026-04-02 13:10 by yulian1987
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸ ÄϾ©º½¿Õº½Ìì´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶£¬×Ü·Ö289·Ö +11 @taotao 2026-03-29 11/550 2026-04-02 10:04 by realme321
[¿¼ÑÐ] °²È«¹¤³Ì 285 Çóµ÷¼Á +3 Xinyu56 2026-04-01 4/200 2026-04-01 21:50 by ¾²¾²¾²¾²¾²¾²¾²¾
[¿¼ÑÐ] 284Çóµ÷¼Á +12 СÐÜ¡«¡« 2026-03-31 12/600 2026-04-01 20:23 by »¨??
[¿¼ÑÐ] ÉúÎïÓëÒ½Ò©¿¼Ñе÷¼Á +5 Ìúº©º©123425 2026-03-31 5/250 2026-04-01 18:01 by syh9288
[¿¼ÑÐ] 349Çóµ÷¼Á +6 ³ÔµÄ²»ÉÙ 2026-04-01 6/300 2026-04-01 17:55 by JYD2011
[¿¼ÑÐ] µ÷¼Á +3 ºÃºÃ¶ÁÊé¡£ 2026-04-01 3/150 2026-04-01 17:06 by zhouyuwinner
[¿¼ÑÐ] ÉúÎïѧ296Çóµ÷¼Á +10 ÌÀÔ²°ü 2026-03-29 14/700 2026-04-01 10:44 by Çóµ÷¼Ázz
[¿¼ÑÐ] ÍÁľ304Çóµ÷¼Á +3 ÍÃͻͻͻ£¬ 2026-03-31 3/150 2026-04-01 09:42 by JourneyLucky
[¿¼ÑÐ] ¿¼ÑвÄÁϹ¤³Ì351·Öµ÷¼Á +5 Õû¸öºÃµÄ 2026-03-31 5/250 2026-04-01 09:36 by topgun2009
[¿¼ÑÐ] 274Çóµ÷¼Á +6 xiao°®Í¬Ñ§ 2026-03-30 6/300 2026-03-31 10:04 by cal0306
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û