²é¿´: 3321  |  »Ø¸´: 9

hwceng0816

ľ³æ (ÖøÃûдÊÖ)

[½»Á÷] CASTEPºÍdmol3ÔÚ¶¯Á¦Ñ§µÄÇø±ð ÒÑÓÐ3È˲ÎÓë

¼ÆË㲻ͬζÈϵÄÈÈÁ¦Ñ§ÐÔÖÊ, ²ÉÓÃD m ol ³ÌÐò°üÖеÄDynamics Ä£¿é.ºÍ²ÉÓÃCASTEPÀïÃæµÄdynamicsÓÐÊ²Ã´Çø±ð£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

zzy870720z

ÈÙÓþ°æÖ÷ (ÎÄ̳¾«Ó¢)

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

¡ï ¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
WDD880227: ½ð±Ò+1, ¶àлÌáʾ~~ 2012-03-22 15:58:25
CASTEPºÍDMOL×î´óµÄÇø±ðÔÚÓÚ»ù×é²»Ò»Ö°É
²©Ñ§¡¢ÉóÎÊ¡¢É÷˼¡¢Ã÷±æ¡¢óÆÑ§
2Â¥2012-03-22 15:36:16
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hwceng0816

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by zzy870720z at 2012-03-22 15:36:16:
CASTEPºÍDMOL×î´óµÄÇø±ðÔÚÓÚ»ù×é²»Ò»Ö°É

CASTEP×ö¶¯Á¦Ñ§¼ÆËã¿ÉÒԵõ½Ê²Ã´£¿Ò²¾ÍÊÇ˵É趨²»Í¬µÄζȻòѹÁ¦½øÐмÆËã½á¹û¿ÉÒԵõ½Ê²Ã´£¿
3Â¥2012-03-22 16:26:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zzy870720z

ÈÙÓþ°æÖ÷ (ÎÄ̳¾«Ó¢)

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

¡ï ¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
liliangfang: ½ð±Ò+1, лл½»Á÷ 2012-03-22 21:16:30
ÎҼǵÃÓÐÁ½¸öϵ×Û£¬¿Ï¶¨ÓÐNVT°É£¬Î¶ÈÄǸöÓ¦¸ÃûÓÐÎÊÌ⣬Íü¼ÇÓÐûÓÐNPTϵ×ÛÁË
¶ÔÁËCASTEPºÍDMOL¶¼ÊÇ»ùÓÚBO½üËÆÏµÄMD£¬ºÍCPMD²»Ì«Ò»Ñù
²©Ñ§¡¢ÉóÎÊ¡¢É÷˼¡¢Ã÷±æ¡¢óÆÑ§
4Â¥2012-03-22 16:29:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hwceng0816

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
4Â¥: Originally posted by zzy870720z at 2012-03-22 16:29:01:
ÎҼǵÃÓÐÁ½¸öϵ×Û£¬¿Ï¶¨ÓÐNVT°É£¬Î¶ÈÄǸöÓ¦¸ÃûÓÐÎÊÌ⣬Íü¼ÇÓÐûÓÐNPTϵ×ÛÁË
¶ÔÁËCASTEPºÍDMOL¶¼ÊÇ»ùÓÚBO½üËÆÏµÄMD£¬ºÍCPMD²»Ì«Ò»Ñù

ÄÇÕâ¸ö¼ÆËãʲô¶«Î÷£¿
5Â¥2012-03-22 16:38:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zzy870720z

ÈÙÓþ°æÖ÷ (ÎÄ̳¾«Ó¢)

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

ÒýÓûØÌû:
5Â¥: Originally posted by hwceng0816 at 2012-03-22 16:38:52:
ÄÇÕâ¸ö¼ÆËãʲô¶«Î÷£¿

°Ù¶È
²©Ñ§¡¢ÉóÎÊ¡¢É÷˼¡¢Ã÷±æ¡¢óÆÑ§
6Â¥2012-03-22 16:39:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hwceng0816

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
6Â¥: Originally posted by zzy870720z at 2012-03-22 16:39:28:
°Ù¶È

˵µÄºÜϬÀû
7Â¥2012-03-22 16:40:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lushunqi

½û³æ (СÓÐÃûÆø)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
±¾ÌûÄÚÈݱ»ÆÁ±Î

8Â¥2012-03-23 09:14:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zzy870720z

ÈÙÓþ°æÖ÷ (ÎÄ̳¾«Ó¢)

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

ÒýÓûØÌû:
8Â¥: Originally posted by lushunqi at 2012-03-23 09:14:48:
Äú˵µÄ»ù×é²»Ò»Ö£¬Äܰïæ½âÊÍÏÂÂð

ÏȰٶÈһϰÉ
²©Ñ§¡¢ÉóÎÊ¡¢É÷˼¡¢Ã÷±æ¡¢óÆÑ§
9Â¥2012-03-23 10:13:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Semperfiels

¾èÖú¹ó±ö (³õÈëÎÄ̳)

¿´¿´Ñ§Ï°ÏÂ
10Â¥2012-03-27 10:24:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ hwceng0816 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[»ù½ðÉêÇë] NSFCÉ걨ÊéÀïÉêÇëÈ˼òÀúÖдú±íÐÔÂÛÖø»¹ÐèÒªÔÚÉ걨Êé×îºóµÄ¸½¼þÀïÃæÔÙÉÏ´«Ò»±éÂð 20+5 NSFC2026ÎÒÀ´ÁË 2026-03-10 14/700 2026-03-15 23:53 by ²»¸ºÉØ»ªµÄ»¢
[¿¼ÑÐ] µ÷¼Á +8 µ÷¼ÁµÄ¿¼ÑÐѧÉú 2026-03-09 8/400 2026-03-15 22:14 by Winj1e
[¿¼ÑÐ] Ò»Ö¾Ô¸¹þ¹¤´ó²ÄÁÏ324·ÖÇóµ÷¼Á +5 ãÆÐñ¶« 2026-03-14 5/250 2026-03-14 14:53 by ľ¹Ï¸à
[¿¼ÑÐ] 288Çóµ÷¼Á +14 ÍõÏþÑô- 2026-03-09 19/950 2026-03-14 02:05 by JourneyLucky
[¿¼ÑÐ] ¿¼ÑвÄÁÏÓ뻯¹¤£¬Çóµ÷¼Á +8 Ï·¾«µ¤µ¤µ¤ 2026-03-09 8/400 2026-03-14 01:14 by JourneyLucky
[¿¼ÑÐ] 265Çóµ÷¼Á +9 Сľ³æ085600 2026-03-09 12/600 2026-03-14 01:11 by JourneyLucky
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸½­ÄÏ´óѧ»·¾³¹¤³Ì085701 +3 Djdjj12 2026-03-10 4/200 2026-03-14 00:31 by JourneyLucky
[¿¼ÑÐ] 279Çóµ÷¼Á +3 ×¥×ÅÐÇÐǵÄÅ®º¢ 2026-03-10 3/150 2026-03-13 23:47 by userper
[¿¼ÑÐ] 0805£¬333Çóµ÷¼Á +3 112253525 2026-03-10 3/150 2026-03-13 23:42 by JourneyLucky
[¿¼ÑÐ] £Û0860£Ý321·ÖÇóµ÷¼Á£¬abÇø½Ô¿É +4 ±¦¹óÈÈ 2026-03-13 4/200 2026-03-13 22:01 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 329Çóµ÷¼Á +3 miaodesi 2026-03-12 4/200 2026-03-13 20:53 by 18595523086
[¿¼ÑÐ] ²ÄÁϹ¤³Ìµ÷¼Á +4 ßäßä¿Õ¿Õ 2026-03-11 4/200 2026-03-13 19:57 by JourneyLucky
[¿¼ÑÐ] 295Çóµ÷¼Á +3 Сذ×ÐÖ­ 2026-03-12 3/150 2026-03-13 15:17 by vgtyfty
[¿¼ÑÐ] 0856»¯¹¤Ô­Àí +6 z2839474511 2026-03-10 6/300 2026-03-13 10:41 by houyaoxu
[¿¼ÑÐ] 290Çóµ÷¼Á +3 ADT 2026-03-13 3/150 2026-03-13 10:19 by peike
[¿¼ÑÐ] »¯¹¤Ñ§Ë¶306Çóµ÷¼Á +9 42838695 2026-03-12 9/450 2026-03-13 10:16 by houyaoxu
[¿¼ÑÐ] 279Çóµ÷¼Á +3 Īxiao 2026-03-10 4/200 2026-03-11 08:06 by Õ¶»êµÎÍÃ×Ó£¡
[¿¼ÑÐ] ¹þ¹¤´ó²ÄÁÏ324Çóµ÷¼Á +6 ãÆÐñ¶« 2026-03-10 8/400 2026-03-10 22:49 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] Ò»Ö¾Ô¸£ºÎ人Àí¹¤£¬²ÄÁϹ¤³Ì£¬Ó¢¶þÊý¶þ ×Ü·Ö314 +3 2202020125 2026-03-10 4/200 2026-03-10 13:54 by xiongyaxuan
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û