24СʱÈÈÃŰæ¿éÅÅÐаñ    

²é¿´: 3250  |  »Ø¸´: 7
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

Gina88

ľ³æ (ÕýʽдÊÖ)


[½»Á÷] ¡¾ÇóÖúÍê±Ï¡¿Dmol3ºÍCASTEP¾¿¾¹ÓÐʲô²»Í¬£¿

ÈçÌ⣺Dmol3ºÍCASTEP¾¿¾¹ÓÐʲô²»Í¬£¿

Dmol3ÖÐΪʲôҪÓÃË«ÊýÖµ¡¢ÈýÊýÖµ»ùµ×£¬ÓÃÕâЩ»ùµ×¸÷ÓÐʲôºÃ´¦£¿¸÷λ´óϺÔÚÓÃDmol3½øÐмÆËãʱһ°ãÑ¡ÓÃʲô»ùµ×£¿

Multipolar expansionÊÇʲôÒâ˼£¬ÓÃËüÓÖÓÐʲôºÃ´¦¡£²é¿´ÁËÒ»µã×ÊÁÏ£¬ÊÇÓ¢Îĵģ¬¿´Á˰ëÌ컹ÊǺÜÄ£ºý°¡¡£

[ Last edited by cenwanglai on 2011-3-27 at 22:53 ]
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

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

yaodu

Òø³æ (СÓÐÃûÆø)


¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
Â¥ÉϻشðµÄÓеãË®°¡¡£¡£¡£
5Â¥2011-03-31 23:15:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

Gina88

ľ³æ (ÕýʽдÊÖ)


youzhizhe:ÇëÄÍÐĵȴý¡£Ð»Ð»¹Ø×¢µÚÒ»Ô­Àí°æ¿é¡£ 2011-01-04 16:31:22
ÔõôûÓÐÈ˻شðÎÒµÄÎÊÌâ°¡¡£

[ Last edited by Gina88 on 2011-1-20 at 17:52 ]
2Â¥2011-01-04 09:26:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

guolianshun

Í­³æ (ÖøÃûдÊÖ)


¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
dmol3¿ÉÒÔ¼ÆËãÖÜÆÚÐԽṹÂð
3Â¥2011-03-31 17:24:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

guolianshun

Í­³æ (ÖøÃûдÊÖ)


¡ï
zzy870720z(½ð±Ò+1): лл°ï棬²»¹ýûÓаѱ¾ÖʵÄÇø±ð˵³öÀ´°Ñ£¬ºÇºÇ 2011-04-01 08:24:49
castep£ºÏȽøµÄÁ¿×ÓÁ¦Ñ§³ÌÐò£¬Ê¹ÓÃÆ½Ã沨ØÍÊÆµÄ·½·¨¡£¹ã·ºÓ¦ÓÃÓÚÌÕ´É¡¢°ëµ¼ÌåÒÔ¼°½ðÊôµÈ¶àÖÖ²ÄÁÏ¡£¿ÉÑо¿µÄÄÚÈݰüÀ¨£º¾§Ìå²ÄÁϵÄÐÔÖÊ£¨°ëµ¼Ìå¡¢ÌÕ´É¡¢½ðÊô¡¢·Ö×ÓɸµÈ£©¡¢±íÃæºÍ±íÃæÖØ¹¹µÄÐÔÖÊ¡¢±íÃæ»¯Ñ§¡¢µç×ӽṹ£¨ÄÜ´ø¼°Ì¬Ãܶȡ¢Éù×ӯף©¡¢¾§ÌåµÄ¹âѧÐÔÖÊ¡¢µãȱÏÝÐÔÖÊ£¨Èç¿Õλ¡¢¼ä϶»òÈ¡´ú²ôÔÓ£©¡¢À©Õ¹È±ÏÝ£¨¾§Á£¼ä½ç¡¢Î»´í£©¡¢³É·ÖÎÞÐòµÈ¡£·½±ãµÄ×ÔÐý¼«»¯ÉèÖ㬻¹¿ÉÓÃÓÚ¼ÆËã´ÅÐÔÌåϵ¡£¿ÉÏÔʾÌåϵµÄÈýάµçºÉÃܶȼ°²¨º¯Êý¡¢Ä£ÄâSTMͼÏñ¡¢¹ÌÌå²ÄÁϵĺìÍâ¹âÆ×¡¢¼ÆËãµçºÉ²î·ÖÃܶȡ£
dmol3:¶ÀÌØµÄÃܶȷºº¯£¨DFT£©Á¿×ÓÁ¦Ñ§³ÌÐò£¬ÊÇΨһ¿ÉÒÔÄ£ÄâÆøÏà¡¢ÈÜÒº¡¢±íÃæ¼°¹ÌÌåµÄÐÔÖʼ°ÐÐΪ¡¢²¢¿ÉÒÔͬʱ¿¼ÂÇÖÜÆÚÐÔÓë·ÇÖÜÆÚÐÔÈܼÁ»¯Ð§Ó¦µÄÉÌÒµ»¯Á¿×ÓÁ¦Ñ§³ÌÐò£¬Ó¦ÓÃÓÚ»¯Ñ§¡¢²ÄÁÏ¡¢»¯¹¤¡¢¹ÌÌåÎïÀíµÈÐí¶àÁìÓò¡£¿ÉÓÃÓÚÑо¿¾ùÏà´ß»¯¡¢¶àÏà´ß»¯¡¢°ëµ¼Ìå¡¢·Ö×Ó·´Ó¦µÈ£¬Ò²¿ÉÔ¤²âÖîÈçÈܽâ¶È¡¢ÕôÆøÑ¹¡¢Åä·Öº¯Êý¡¢ÈܽâÈÈ¡¢»ìºÏÈȵÈÐÔÖÊ¡£¿É¼ÆËãÄÜ´ø½á¹¹¡¢Ì¬Ãܶȡ£·½±ãµÄ×ÔÐý¼«»¯ÉèÖ㬻¹¿ÉÓÃÓÚ¼ÆËã´ÅÐÔÌåϵ¡£Í¬Ê±»¹Ö§³Ö»ùÓÚÁ¿×ÓÁ¦Ñ§µÄ¶¯Á¦Ñ§¼ÆËã¡£»ùÓÚÄÚ×ø±êµÄËã·¨¸ßЧ׼ȷ£¬Ö§³Ö²¢ÐмÆËã¡£¸ÃÄ£¿éÄܹ»Ê¹ÓÃPerl Script¹¦ÄܱàÒë¡£
4Â¥2011-03-31 17:26:37
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 321Çóµ÷¼Á +9 ºÎÈó²É123 2026-03-18 11/550 2026-03-20 23:19 by JourneyLucky
[¿¼ÑÐ] 288Çóµ÷¼Á +16 ÓÚº£º£º£º£ 2026-03-19 16/800 2026-03-20 22:28 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖÐÄÏ»¯Ñ§£¨0703£©×Ü·Ö337Çóµ÷¼Á +8 niko- 2026-03-19 9/450 2026-03-20 21:57 by luoyongfeng
[¿¼ÑÐ] AÇøÏß²ÄÁÏѧµ÷¼Á +5 ÖÜÖÜÎÞ¼« 2026-03-20 5/250 2026-03-20 21:33 by laoshidan
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ0703»¯Ñ§318·Ö£¬ÓпÆÑо­Àú£¬Çóµ÷¼Á +4 һƿ±½¼×Ëá 2026-03-14 4/200 2026-03-20 20:36 by fen_rao
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄÏÀí¹¤085701»·¾³302Çóµ÷¼ÁԺУ +3 ¿ûè÷ÎÀ¶Ó 2026-03-20 3/150 2026-03-20 19:28 by zhukairuo
[¿¼ÑÐ] ¹ãÎ÷´óѧ¼ÒÇÝÒÅ´«ÓýÖÖ¿ÎÌâ×é2026Äê˶ʿÕÐÉú£¨½ÓÊÕ¼ÆËã»úרҵµ÷¼Á£© +3 123°¢±ê 2026-03-17 3/150 2026-03-20 15:58 by ·ÉÐÐçù
[¿¼ÑÐ] ÄÜÔ´²ÄÁÏ»¯Ñ§¿ÎÌâ×éÕÐÊÕ˶ʿÑо¿Éú8-10Ãû +5 ÍÑÓ±¶ø³ö 2026-03-16 14/700 2026-03-20 09:30 by kkcoco25
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤µ÷¼Á 324·Ö +10 llllkkkhh 2026-03-18 12/600 2026-03-19 14:33 by llllkkkhh
[¿¼ÑÐ] 286Çóµ÷¼Á +6 lemonzzn 2026-03-16 10/500 2026-03-19 14:31 by lemonzzn
[¿¼ÑÐ] 344Çóµ÷¼Á +6 knight344 2026-03-16 7/350 2026-03-18 20:13 by walc
[¿¼ÑÐ] Ò»Ö¾Ô¸ÎäÀí²ÄÁÏ305·ÖÇóµ÷¼Á +5 ÏëÉϰ¶µÄÀðÓã 2026-03-18 6/300 2026-03-18 17:53 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 297Çóµ÷¼Á +8 Ï·¾«µ¤µ¤µ¤ 2026-03-17 8/400 2026-03-18 14:30 by laoshidan
[¿¼ÑÐ] 302Çóµ÷¼Á +10 ºôºôºô¡£¡£¡£¡£ 2026-03-17 10/500 2026-03-18 12:45 by Linda Hu
[¿¼ÑÐ] 334Çóµ÷¼Á +3 Ö¾´æ¸ßÔ¶ÒâÔÚ»úÐ 2026-03-16 3/150 2026-03-18 08:34 by lm4875102
[»ù½ðÉêÇë] ±»ÎÒÑÔÖУºÐÂÄ£°å²»Ç¿µ÷¸ñʽÁË£¬¼Ùר¼Ò¿ªÊ¼¹Ü¸ñʽÁË +4 beefly 2026-03-14 4/200 2026-03-17 22:04 by »ÆÄñÓÚ·ÉChao
[¿¼ÑÐ] 302Çóµ÷¼Á +4 С¼Öͬѧ123 2026-03-15 8/400 2026-03-17 10:33 by С¼Öͬѧ123
[¿¼ÑÐ] 283Çóµ÷¼Á +3 Ìý·ç¾ÍÊÇÓꣻ 2026-03-16 3/150 2026-03-17 07:41 by ÈÈÇéɳĮ
[¿¼ÑÐ] »úеר˶325£¬Ñ°ÕÒµ÷¼ÁԺУ +3 y9999 2026-03-15 5/250 2026-03-16 19:58 by y9999
[¿¼ÑÐ] 080500£¬²ÄÁÏѧ˶302·ÖÇóµ÷¼ÁѧУ +4 ³õʶ¿ÉÀÖ 2026-03-14 5/250 2026-03-14 21:08 by peike
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û