±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 7461  |  »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

Raicy

½ð³æ (СÓÐÃûÆø)


Â¥Ö÷Õâ¸öÈí¼þÄÄÀïÓа¡
24Â¥2015-11-20 11:25:18
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] Çó²ÄÁϵ÷¼Á£¬Ò»Ö¾Ô¸Ö£ÖÝ´óѧ289·Ö +15 ˶ÐǸ° 2026-04-03 15/750 2026-04-04 01:01 by userper
[¿¼ÑÐ] µç×ÓÐÅÏ¢µ÷¼Á½»²æÑ§¿ÆÓÐÍÆ¼öÂð +4 jhtfeybgj 2026-04-01 6/300 2026-04-04 00:14 by Öí»á·É
[¿¼ÑÐ] 266Çóµ÷¼Á +6 ѧԱ97LZgn 2026-04-03 6/300 2026-04-04 00:00 by userper
[¿¼ÑÐ] 085601Ò»Ö¾Ô¸±±Àí325·ÖÇóµ÷¼Á +6 ÕÒµ÷¼Á£¬£¬ 2026-04-02 6/300 2026-04-03 22:20 by –¹Æ?
[¿¼ÑÐ] 0710ÉúÎïѧ336·ÖÇóµ÷¼Á +5 kiyy 2026-04-01 5/250 2026-04-03 21:35 by kk112233
[¿¼ÑÐ] ÎåÒØ´óѧÍÁľ¹¤³ÌÕе÷¼ÁÉú2026 +3 wyutj 2026-03-31 4/200 2026-04-03 18:21 by zengxj_7201
[¿¼ÑÐ] 085501Ò»Ö¾Ô¸Ì칤´ó£¬»úеר˶Çóµ÷¼Á£¬¿ç²ÄÁÏ +3 33ÉÏ 2026-04-03 3/150 2026-04-03 14:08 by 1753564080
[¿¼ÑÐ] 283Çóµ÷¼Á +3 jiouuu 2026-04-03 4/200 2026-04-03 13:28 by jiouuu
[¿¼ÑÐ] ½¨»·£¬ÄÜÔ´£¬ÍÁľÀÏʦ·¹ý¿´Ò»¿´£¡£¡£¡ +5 ºÙºÙuu 2026-04-01 5/250 2026-04-03 11:47 by znian
[¿¼ÑÐ] 330Çóµ÷¼Á +3 °×ÉñÎØºôºô 2026-04-02 3/150 2026-04-03 10:15 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 289Çóµ÷¼Á +4 Acesczlo 2026-03-29 5/250 2026-04-03 10:09 by ²»168
[¿¼ÑÐ] µ÷¼Á +3 osbbx 2026-04-02 3/150 2026-04-03 07:47 by cc8418
[¿¼²©] É격ÇóÖú +3 Reee1Llll 2026-04-01 3/150 2026-04-02 22:29 by ÕâÊÇÒ»¸öÎÞÁĵÄê
[¿¼ÑÐ] 277Çóµ÷¼Á +3 12A3 2026-04-02 3/150 2026-04-02 21:30 by swb0218
[¿¼ÑÐ] »·¾³¿ÆÑ§Ó빤³Ì334·ÖÇóµ÷¼Á +7 ÍõÒ»Ò»ÒÀÒÀ 2026-03-30 9/450 2026-04-02 21:15 by 1104338198
[¿¼ÑÐ] 321Çóµ÷¼Á Ò»Ö¾Ô¸ Õã½­¹¤Òµ´óѧÉúÎïÒ½Ò© +5 ºÙºÙHC 2026-04-01 6/300 2026-04-02 15:23 by sophie2180
[¿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] Ò»Ö¾Ô¸346ÉϺ£´óѧÉúÎïѧ +3 ÉϺ£´óѧ346µ÷¼Á 2026-04-01 3/150 2026-04-02 08:36 by w³æ³æ123
[¿¼ÑÐ] µ÷¼Á +5 ºÃºÃ¶ÁÊé¡£ 2026-03-28 7/350 2026-04-01 15:32 by ÍõÁÁ_´óÁ¬Ò½¿Æ´ó
[¿¼ÑÐ] ±¾2Ò»Ö¾Ô¸C9-333·Ö£¬²ÄÁÏ¿ÆÑ§Ó빤³Ì£¬Çóµ÷¼Á +9 ÉýÉý²»½µ 2026-03-31 9/450 2026-03-31 18:01 by Î޼ʵIJÝÔ­
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û