±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1573  |  »Ø¸´: 7
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

ÀÖÀÖ9138

Òø³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿ÔõÑù¼ÆËãbaderµçºÉ

¸÷λºÃ£º
       ÇëÎÊÔõÑùÓÃVASP¼ÆËãÌåϵµÄbaderµçºÉ£¬INCARÎļþÔõôÉèÖ㿼ÆËã³öÀ´µÄ½á¹ûÓÃʲô´¦Àí£¿Ð»Ð»
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

µÚÒ»ÐÔ

» ²ÂÄãϲ»¶

²©Ñ§óÆÖ¾£¬¸ñÎïÃ÷µÂ
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÀÖÀÖ9138

Òø³æ (ÕýʽдÊÖ)

¡ï ¡ï ¡ï ¡ï
fegg7502(½ð±Ò+1,VIP+0):thank you very much! 12-27 17:55
ice_rain(½ð±Ò+0,VIP+0):Õâ¸öÓ¦¸ÃºÜÈÝÒ×°É£¬×Ô¼ºÔÚdosÓþÍÐÐÁË¡£bader chargefile 12-27 20:26
fegg7502(½ð±Ò+3,VIP+0):ŪºÃÁËô£¿ 1-7 17:29
ÒýÓûØÌû:
Originally posted by fanchen021 at 2009/12/26 20:38:
http://theory.cm.utexas.edu/vtsttools/bader/vasp.php

Õâ±ß˵µÃºÜÏêϸ¡£¡£¡£

ÎÒÏÂÔØÁËÒ»¸öWIN°æµÄ£¬µ«ÊÇÎÒÔõô¶¼Óò»ÁË¡£ËùÒÔÎÒÏëÇëÎÊÒ»ÏÂÄã×Ô¼ºÊÇÔõô¾ßÌå²Ù×÷µÄ£¬ÒªÊÇÄܽÌÎÒʹÓÃwin°æµÄ£¬ÎÒ½«¸Ð¼¤²»¾¡¡£
²©Ñ§óÆÖ¾£¬¸ñÎïÃ÷µÂ
6Â¥2009-12-27 16:19:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

×ÓÐéÎÚÓÐ5388

ľ³æ (ÕýʽдÊÖ)

¡ï ¡ï
ice_rain(½ð±Ò+0,VIP+0):Õâ¸öÓдýÉÌȶ¡£Ð»Ð»ÌÖÂÛ 12-26 21:17
ÀÖÀÖ9138(½ð±Ò+1,VIP+0):лл 12-27 16:16
ÀÖÀÖ9138(½ð±Ò+1,VIP+0):лл 1-7 10:40
²»ÓÃÉèÖÃincar Ö±½ÓÓþ²Ì¬¼ÆËãµÄCHCAR¾Í¿ÉÒÔÁË ÓÃbader³ÌÐò¶ÔÆä×÷ÓÃһϾͿÉÒԵõ½ÁË
·¿ÎÞÒ»¼ä£¬µØÎÞһĶ£¬ÉíÎÞ·ÖÎÄ£¬ÐØÎÞ´óÖ¾¡£
2Â¥2009-12-26 11:47:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

y1ding

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï
ice_rain(½ð±Ò+1,VIP+0):лл½»Á÷ 12-26 20:48
ÀÖÀÖ9138(½ð±Ò+1,VIP+0):ллÄãµÄ°ïÖú 12-27 16:20
google vasp bader

theory.cm.utexas.edu/vtsttools/bader/
3Â¥2009-12-26 11:48:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

fanchen021

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡ï ¡ï
ice_rain(½ð±Ò+1,VIP+0):лл½»Á÷ 12-26 20:47
ÀÖÀÖ9138(½ð±Ò+1,VIP+0):ллÄãµÄ°ïÖú 12-27 16:19
http://theory.cm.utexas.edu/vtsttools/bader/vasp.php

Õâ±ß˵µÃºÜÏêϸ¡£¡£¡£
4Â¥2009-12-26 20:38:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 316Çóµ÷¼Á +4 ½­´Ç666 2026-03-26 4/200 2026-03-27 00:33 by wxiongid
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÀí£¬ÊýÒ»Ó¢Ò»285ÇóAÇøµ÷¼Á +8 AZMK 2026-03-25 10/500 2026-03-26 22:37 by ѧԱ8dgXkO
[¿¼ÑÐ] 07»¯Ñ§280·ÖÇóµ÷¼Á +8 722865 2026-03-23 8/400 2026-03-26 20:00 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] ²ÄÁϵ÷¼Á 5+4 ÏëÒªÒ»ºøÌÒ»¨Ë® 2026-03-25 10/500 2026-03-26 19:56 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ²ÄÁÏÓ뻯¹¤£¨085600£©296Çóµ÷¼Á +9 µ¾ÆÞС±à 2026-03-26 9/450 2026-03-26 16:16 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 279 ·Ö Çóµ÷¼Á +3 ˯¸öºÃ¾õ_16 2026-03-24 3/150 2026-03-26 15:43 by zzll406
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉÂʦ´óÉúÎïѧ071000£¬298·Ö£¬Çóµ÷¼Á +4 SYA£¡ 2026-03-23 4/200 2026-03-26 15:27 by caiaijun80
[¿¼ÑÐ] ²ÄÁÏ277Çóµ÷¼Á +5 min3 2026-03-24 5/250 2026-03-26 15:13 by zzll406
[¿¼ÑÐ] 309Çóµ÷¼Á +4 gajsj 2026-03-25 5/250 2026-03-26 00:27 by Dyhoer
[¿¼ÑÐ] 332Çóµ÷¼Á +6 032500 2026-03-25 6/300 2026-03-25 22:45 by 418490947
[¿¼ÑÐ] 26¿¼ÑÐ-291·Ö-ÏÃÃÅ´óѧ£¨085601£©-ÈáÐÔµç×ÓѧԺ²ÄÁϹ¤³ÌרҵÇóµ÷¼Á +3 min3 2026-03-24 4/200 2026-03-25 18:22 by xcjcqu
[¿¼ÑÐ] 347Çóµ÷¼Á +4 L when 2026-03-25 4/200 2026-03-25 13:37 by cocolv
[¿¼ÑÐ] Çóµ÷¼Á323²ÄÁÏÓ뻯¹¤ +4 1124361 2026-03-24 4/200 2026-03-25 11:19 by shulmg
[¿¼ÑÐ] Ò»Ö¾Ô¸ÎäÀí085500»úеרҵ×Ü·Ö300Çóµ÷¼Á +3 an10101 2026-03-24 7/350 2026-03-25 00:00 by ɽ¹í0-
[¿¼ÑÐ] ²ÄÁÏר˶ÕÒµ÷¼Á +5 ¹þ¹þ¹þºðºðºð¹þ 2026-03-23 5/250 2026-03-24 19:07 by ÁËÁËÁËÁË¡£¡£
[¿¼ÑÐ] 292Çóµ÷¼Á +4 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-24 4/200 2026-03-24 16:41 by peike
[¿¼ÑÐ] Ò»Ö¾Ô¸ºÓ±±¹¤Òµ´óѧ0817»¯¹¤278·ÖÇóµ÷¼Á +7 jhybd 2026-03-23 12/600 2026-03-24 09:03 by jhybd
[¿¼ÑÐ] Çóµ÷¼Á +7 Ê®Èý¼ÓÓÍ 2026-03-21 7/350 2026-03-23 23:48 by ÈÈÇéɳĮ
[¿¼ÑÐ] ½ÓÊÕ2026˶ʿµ÷¼Á(ѧ˶+ר˶) +4 allen-yin 2026-03-23 6/300 2026-03-23 15:04 by Íô£¡£¿£¡
[¿¼ÑÐ] ÇóÀÏʦÊÕÎÒ +3 zzh16938784 2026-03-23 3/150 2026-03-23 12:56 by ztnimte
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û