±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1585  |  »Ø¸´: 12

liang7035

½ð³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿Çë½ÌTaskÀïÃæµÄÉèÖÃÎÊÌ⣡ ÒÑÓÐ10È˲ÎÓë

ÇëÎʸ÷λ¸ßÊÖ£¬ÔÚcastep calculation ÖÐset up ²ÎÊýÉèÖÃÖУ¬¼ÆËãʲôµÄʱºòÑ¡ÔñEnergy£¬Geometry optimization  ´ú±í¼¸ºÎÓÅ»¯£¬±ÈÈç×öÑõÔÚ±íÃæµÄÎü¸½µÄʱºò£¬Õâ¸öÑ¡ÏîÈçºÎÉèÖã¬ÊÇÑ¡Energy»¹ÊÇGeometry optimization£¬»¹ÓмÆËã±íÃæÆ«¾ÛÄܵÄʱºò£¬Õâ¸öÑ¡ÏîÈçºÎÉèÖã¬Õâ¸öÎÊÌâ²»ÊǺÜÇå³þ£¬Çë¸ßÊÖÖ¸µã£¬Ð»Ð»¡£¡£¡£
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

Ò»¸öÒ»ÐÄÏòÉϵÄÈËÕû¸öÊÀ½ç¶¼»á¸øËûÈ÷£¡
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

fangyuan5687

¾èÖú¹ó±ö (ÕýʽдÊÖ)

¡ï ¡ï
liang7035(½ð±Ò+2):лл²ÎÓë
zzy870720z(½ð±Ò+1):¸Ðл½»Á÷ 2010-06-02 12:23:16
energyÖ»ÊǼÆËãÌåϵµÄÄÜÁ¿£¬Geometry optimizationÊÇÓÅ»¯ÌåϵµÄ¹¹ÐÍ£¬ÔÚÓÅ»¯µÄ¹ý³ÌÖÐÄÜÁ¿Ò²¼ÆËãÁË¡£ËùÒÔÒ»°ãÇé¿öÏ£¬²»ÐèÒªµ¥¶À¼ÆËãÄÜÁ¿¡£
ÖÁÓÚ¼¸ºÎÓÅ»¯²ÎÊýÔõôÉèÖã¬Òª¸ù¾Ý²»Í¬µÄÌåϵ£¬²Î¿¼ÎÄÏ×»ò×Ô¼º²âÊÔѡȡºÏÊʵIJÎÊý
2Â¥2010-06-02 11:40:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

˶ʿÉú

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡ï
liang7035(½ð±Ò+2):лл²ÎÓë
Ïȶ¥Ò»Ï£¬ÔÚ¿´¿´
µÍµ÷£¡
3Â¥2010-06-02 11:56:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

susan09

ľ³æ (ÕýʽдÊÖ)

¡ï
liang7035(½ð±Ò+2):лл²ÎÓë
ÏÈÑо¿Ò»ÏÂ
4Â¥2010-06-02 11:57:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

franch

°æÖ÷ (ÖøÃûдÊÖ)

¡ï ¡ï
liang7035(½ð±Ò+2):лл²ÎÓë
gavinliu7390(½ð±Ò+1):thanks! 2010-06-02 16:37:14
ÏÈGeometry optimization£¬£¬£¬ ÔÙ energy £¬£¬
ÓöÈõÔòÈõ
5Â¥2010-06-02 12:52:00
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chensxxy

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
zzy870720z(½ð±Ò+2):¸Ðл·ÖÏí×Ô¼º¾­Ñé 2010-06-02 16:28:39
ÒýÓûØÌû:
Originally posted by fangyuan5687 at 2010-06-02 11:40:35:
energyÖ»ÊǼÆËãÌåϵµÄÄÜÁ¿£¬Geometry optimizationÊÇÓÅ»¯ÌåϵµÄ¹¹ÐÍ£¬ÔÚÓÅ»¯µÄ¹ý³ÌÖÐÄÜÁ¿Ò²¼ÆËãÁË¡£ËùÒÔÒ»°ãÇé¿öÏ£¬²»ÐèÒªµ¥¶À¼ÆËãÄÜÁ¿¡£
ÖÁÓÚ¼¸ºÎÓÅ»¯²ÎÊýÔõôÉèÖã¬Òª¸ù¾Ý²»Í¬µÄÌåϵ£¬²Î¿¼ÎÄÏ×»ò×Ô¼º²âÊÔѡȡ ...

ÔÞͬ£¡

ÎÒµÄÒ»°ã×ö·¨£º
1¡¢Geometry optimization
2¡¢¼ÆËãÄÜÁ¿£¬ÊÕÁ²²âÊÔ£¬
3¡¢¸ù¾ÝµÚ2²½£¬Ñ¡ÔñºÏÊ浀 ½Ø¶ÏÄÜ £¬¼ÆËãÐÔÖÊ£¡
×ð³ç×ÔÈ»£¬¾´Î·ÉúÃü£¡
6Â¥2010-06-02 15:24:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

shelay

ľ³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
Originally posted by chensxxy at 2010-06-02 15:24:35:

ÔÞͬ£¡

ÎÒµÄÒ»°ã×ö·¨£º
1¡¢Geometry optimization
2¡¢¼ÆËãÄÜÁ¿£¬ÊÕÁ²²âÊÔ£¬
3¡¢¸ù¾ÝµÚ2²½£¬Ñ¡ÔñºÏÊ浀 ½Ø¶ÏÄÜ £¬¼ÆËãÐÔÖÊ£¡

ͬÒâÂ¥ÉÏ£¡
7Â¥2010-06-02 18:12:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liang7035

½ð³æ (ÕýʽдÊÖ)

лл¸÷λµÄÖ¸µã¡£¡£¡£Ð»Ð»
Ò»¸öÒ»ÐÄÏòÉϵÄÈËÕû¸öÊÀ½ç¶¼»á¸øËûÈ÷£¡
8Â¥2010-06-02 19:29:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

carlaty

½ð³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
Originally posted by chensxxy at 2010-06-02 15:24:35:

ÔÞͬ£¡

ÎÒµÄÒ»°ã×ö·¨£º
1¡¢Geometry optimization
2¡¢¼ÆËãÄÜÁ¿£¬ÊÕÁ²²âÊÔ£¬
3¡¢¸ù¾ÝµÚ2²½£¬Ñ¡ÔñºÏÊ浀 ½Ø¶ÏÄÜ £¬¼ÆËãÐÔÖÊ£¡

²»²âÊÔkµã£¿
9Â¥2010-06-03 09:38:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chensxxy

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
zzy870720z(½ð±Ò+1):¸Ðл½»Á÷ 2010-06-03 12:50:18
ÒýÓûØÌû:
Originally posted by carlaty at 2010-06-03 09:38:53:

²»²âÊÔkµã£¿

Òª²âÊÔ¡£²»¹ý£¬½üÀ´µÄ¼ÆËã·¢ÏÖ£¬Kµã¶ÔÄÜÁ¿µÄÓ°ÏìºÜС¡£
×ð³ç×ÔÈ»£¬¾´Î·ÉúÃü£¡
10Â¥2010-06-03 10:34:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ liang7035 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 298Çóµ÷¼Á +3 manman511 2026-04-05 3/150 2026-04-05 18:09 by kk112233
[¿¼ÑÐ] 282Çóµ÷¼Á +7 aaa³µÁ¾ 2026-04-02 11/550 2026-04-05 17:24 by yulian1987
[¿¼ÑÐ] 282Çóµ÷¼Á +3 aaa³µÁ¾ 2026-04-01 3/150 2026-04-05 17:03 by yulian1987
[¿¼ÑÐ] 367Çóµ÷¼Á +3 л28 2026-03-30 3/150 2026-04-05 13:27 by huangmoli
[¿¼ÑÐ] Ò»Ö¾Ô¸½­ÄÏ´óѧ085501»úе¹¤³Ìר˶326·Ö£¬±¾¿Æ¼Ñľ˹´óѧ +5 ¹ËÈô¸¡Éú 2026-04-03 9/450 2026-04-05 09:57 by 1753564080
[¿¼ÑÐ] Çó +5 »¯¹¤×¨Ë¶323·Ö 2026-04-04 5/250 2026-04-05 08:02 by 544594351
[¿¼ÑÐ] 342Çóµ÷¼Á +3 Liang7111 2026-04-04 5/250 2026-04-04 19:47 by dongzh2009
[¿¼ÑÐ] 085600£¬320·ÖÇóµ÷¼Á +14 ´ó²öС×Ó 2026-04-04 15/750 2026-04-04 16:27 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] Ò»Ö¾Ô¸±±½»´ó²ÄÁϹ¤³Ì×Ü·Ö358 +6 cs0106 2026-04-03 6/300 2026-04-04 11:20 by w_xuqing
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖйúʯÓÍ´óѧ»¯Ñ§¹¤³Ì323·ÖÇóµ÷¼Á +4 »¯¹¤×¨Ë¶323·Ö 2026-04-03 6/300 2026-04-03 22:12 by dongzh2009
[¿¼ÑÐ] ³õÊԳɼ¨337ÕÒµ÷¼Á +3 ??? ?. ? 2026-04-03 3/150 2026-04-03 11:43 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 326Çóµ÷¼Á +3 9ahye 2026-04-02 4/200 2026-04-03 08:43 by Jaylen.
[¿¼ÑÐ] Çóµ÷¼Á£¡ÉúÎïÓëҽҩר˶ +4 Äæ×ªÂ½ÏÈÉú 2026-04-01 5/250 2026-04-03 08:33 by Jaylen.
[¿¼ÑÐ] 348Çóµ÷¼Á +11 zzzzyk123 2026-04-01 11/550 2026-04-02 16:52 by Wang200018
[¿¼ÑÐ] 08¿ªÍ·¿´¹ýÀ´£¡£¡£¡ +4 wwwwffffff 2026-03-31 6/300 2026-04-02 11:42 by ¾ùÖµ»Ø¹é
[¿¼ÑÐ] Ò»Ö¾Ô¸9³õÊÔ366 ±¾Ë«·ÇÇóµ÷¼Á +4 ÔËÆøÀ´µÃÈôÓÐËÆÎ 2026-04-02 4/200 2026-04-02 09:56 by guanxin1001
[¿¼ÑÐ] 302Çóµ÷¼ÁÒ»Ö¾Ô¸±±º½070300£¬±¾¿ÆÖ£´ó»¯Ñ§ +8 Ê¥ÈÕ¶úÂüÌõ 2026-04-01 11/550 2026-04-02 07:40 by chemdavid
[¿¼ÑÐ] 085602»¯Ñ§¹¤³Ì268·Ö¶×µ÷¼Á +8 ÔÂÕÕ»¨ÁÖ¡£ 2026-04-01 8/400 2026-04-01 22:08 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷µç085401ÊýÒ»Ó¢Ò»299Çóµ÷¼Á Áù¼¶521 +4 °®³Ô´óѼÀæ 2026-03-31 4/200 2026-03-31 11:51 by ²«»÷518
[¿¼ÑÐ] 313Çóµ÷¼Á +6 Âô¸ö¹Ø×Ó°É 2026-03-31 6/300 2026-03-31 10:58 by Jaylen.
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û