²é¿´: 4549  |  »Ø¸´: 16
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

zhoudayan2

ľ³æ (СÓÐÃûÆø)

sherry

[ÇóÖú] VASP Ëã²»×¼ÑõÆø¼üÄÜ

ÓÐûÓÐÄÄλ´óÏÀÓÃVASPËã¹ýÑõÆøµÄ¼üÄÜ£¬ÊµÑéÖµÊÇ5.12ev×óÓÒ£¬µ«ÊÇÓÃVASP,GGA-PBEËãÑõÆøµÄ×ÜÄÜ-2¸öÑõµÃµ½µÄ¼üÄÜΪ6.6ev,Ïà²îÌ«´ó£¬ÊÇ·ñÓбðµÄ·½·¨Ïȵõ½ÑõÆøµÄ£¬ÑõµÄÄÜÁ¿£¬¶øµÃµ½±È½ÏºÃµÄ¼üÄÜ£¬»òÕß²ÎÊýÉèÖá£
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÈËÉú¾ÍÏñºÓÁ÷£¬ÎÞ·¨»ØÍ·...
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhoudayan2

ľ³æ (СÓÐÃûÆø)

sherry

ÒýÓûØÌû:
Originally posted by cenwanglai at 2011-06-12 21:03:48:
O2·Ö×ÓÒª¿¼ÂÇ×ÔÐý¡£ÈýÖØÌ¬¡£¿ÉÒÔ¿´¿´Öܹ«¶ÈµÄ½á¹¹»¯Ñ§½²µÄO2µÄ·Ö×Ó¹ìµÀ¡£

àÅ£¬ÎÒÒѾ­¿¼Âǹý×ÔÐýÁË£¬µ«ÊÇ»¹ÊDz»ÐУ¬¿´ÎÄÏ×ÊÇVASP,DFT, GGA,ÊÇËã²»×¼ÑõÆøµÄ¼üÄÜ¡£
ÈËÉú¾ÍÏñºÓÁ÷£¬ÎÞ·¨»ØÍ·...
5Â¥2011-06-12 22:30:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 17 ¸ö»Ø´ð

tider

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
mazuju028(½ð±Ò+1): лл½»Á÷ 2011-06-12 22:02:28
zhoudayan2(½ð±Ò+1): 2011-06-12 22:29:18
ºÇºÇ ÎÒËã¹ýµÄ¡£ ÔÚËãÑõÆøµÄ×ÜÄÜʱ£¬Èç¹ûÔÚINCARÀïÃæÈç¹û¿¼ÂÇ×ÔÐýµÃµ½µÄ¼üÄÜÊÇ6.54. ûÓп¼ÂÇ×ÔÐýʱÊÇ5.71.£¨ÑõÔ­×Ó»¹ÊǼÆËã×ÜÄܵÄÁË£©
¼ÆËã·Ö×ÓʱӦ²»Ó¦¸Ã¿¼ÂÇ×ÔÐýÎÒÒ²²»Ì«Çå³þ£¬Á½¸öÑõÔ­×ÓÔÚÒ»ÆðÓÐ×ÔÐýÒ²µÖÏûÁËѽ£¬²»ÖªµÀINCARÀï¼ÓÉÏ×ÔÐýÒÔºóµ½µ×Ó°Ïìµ½ÄÄÁË¡£
2Â¥2011-06-12 19:08:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tider

ľ³æ (ÕýʽдÊÖ)

ÉÏÃæÀ¨ºÅÀï´ò´íÁË£¬ÊÇ˵¼ÆËãÑõÔ­×Óʱ¿¼ÂÇ×ÔÐýÁË
3Â¥2011-06-12 19:10:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

cenwanglai

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

ÀϺÍɽâ«ËöÅɾŶÎ

ÓÅÐã°æÖ÷

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
mazuju028(½ð±Ò+2): лл½»Á÷ 2011-06-12 22:02:40
zhoudayan2(½ð±Ò+1): 2011-06-12 22:28:50
ÒýÓûØÌû:
Originally posted by tider at 2011-06-12 19:08:52:
ºÇºÇ ÎÒËã¹ýµÄ¡£ ÔÚËãÑõÆøµÄ×ÜÄÜʱ£¬Èç¹ûÔÚINCARÀïÃæÈç¹û¿¼ÂÇ×ÔÐýµÃµ½µÄ¼üÄÜÊÇ6.54. ûÓп¼ÂÇ×ÔÐýʱÊÇ5.71.£¨ÑõÔ­×Ó»¹ÊǼÆËã×ÜÄܵÄÁË£©
¼ÆËã·Ö×ÓʱӦ²»Ó¦¸Ã¿¼ÂÇ×ÔÐýÎÒÒ²²»Ì«Çå³þ£¬Á½¸öÑõÔ­×ÓÔÚÒ»ÆðÓÐ×ÔÐýÒ²µÖÏû ...

O2·Ö×ÓÒª¿¼ÂÇ×ÔÐý¡£ÈýÖØÌ¬¡£¿ÉÒÔ¿´¿´Öܹ«¶ÈµÄ½á¹¹»¯Ñ§½²µÄO2µÄ·Ö×Ó¹ìµÀ¡£
4Â¥2011-06-12 21:03:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸Äϲý´óѧ£¬327·Ö£¬²ÄÁÏÓ뻯¹¤085600 +5 Ncdx123456 2026-03-19 5/250 2026-03-20 11:15 by wangy0907
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ªÁÖ´óѧ²ÄÁÏѧ˶321Çóµ÷¼Á +11 Ymlll 2026-03-18 14/700 2026-03-20 10:46 by EBSD
[¿¼ÑÐ] 265Çóµ÷¼Á +6 ÁºÁºÐ£Ð£ 2026-03-17 6/300 2026-03-20 08:59 by ZHANG0tao
[¿¼ÑÐ] 281Çóµ÷¼Á£¨0805£© +11 ÑÌÏ«Ò亣 2026-03-16 21/1050 2026-03-20 08:45 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +4 z1z2z3879 2026-03-14 6/300 2026-03-19 17:18 by fei626-918
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤µ÷¼Á 324·Ö +10 llllkkkhh 2026-03-18 12/600 2026-03-19 14:33 by llllkkkhh
[¿¼ÑÐ] Çóµ÷¼Á +3 Mqqqqqq 2026-03-19 3/150 2026-03-19 14:11 by peike
[¿¼ÑÐ] 332Çóµ÷¼Á +3 ydfyh 2026-03-17 3/150 2026-03-19 10:14 by ¹¦·ò·è¿ñ
[¿¼ÑÐ] ±¾¿ÆÖ£ÖÝ´óѧÎïÀíѧԺ£¬Ò»Ö¾Ô¸»ª¿Æ070200ѧ˶£¬346Çóµ÷¼Á +4 ÎÒ²»ÊÇÒ»¸ù´Ð 2026-03-18 4/200 2026-03-19 09:11 by ¸¡ÔÆ166
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷ÄϽ»´ó£¬Çóµ÷¼Á +4 ²Ä»¯ÖðÃÎÈË 2026-03-18 4/200 2026-03-18 14:22 by 007_lilei
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +3 ÄÝÄÝninicgb 2026-03-17 3/150 2026-03-18 10:29 by macy2011
[¿¼ÑÐ] ÉúÎïѧ071000 329·ÖÇóµ÷¼Á +3 ÎÒ°®ÉúÎïÉúÎﰮΠ2026-03-17 3/150 2026-03-18 10:12 by macy2011
[¿¼ÑÐ] 277µ÷¼Á +5 ×ÔÓɼå±ý¹û×Ó 2026-03-16 6/300 2026-03-17 19:26 by Àîleezz
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϾ©´óѧ£¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ì£¬µ÷¼Á +4 Jy? 2026-03-16 4/200 2026-03-17 11:02 by gaoqiong
[¿¼ÑÐ] 333Çóµ÷¼Á +3 ÎÄ˼¿Í 2026-03-16 7/350 2026-03-16 18:21 by ÎÄ˼¿Í
[¿¼ÑÐ] 327Çóµ÷¼Á +6 ʰ¹âÈÎȾ 2026-03-15 11/550 2026-03-15 22:47 by ʰ¹âÈÎȾ
[¿¼ÑÐ] 22408×Ü·Ö284Çóµ÷¼Á +3 InAspic 2026-03-13 3/150 2026-03-15 11:10 by zhq0425
[¿¼ÑÐ] 085601²ÄÁϹ¤³Ì315·ÖÇóµ÷¼Á +3 yang_0104 2026-03-15 3/150 2026-03-15 10:58 by peike
[¿¼ÑÐ] 080500£¬²ÄÁÏѧ˶302·ÖÇóµ÷¼ÁѧУ +4 ³õʶ¿ÉÀÖ 2026-03-14 5/250 2026-03-14 21:08 by peike
[¿¼ÑÐ] ±¾¿ÆÄϾ©´óѧһ־Ը´¨´óҩѧ327 +3 ÂóÌï¸ûÕß 2026-03-14 3/150 2026-03-14 20:04 by ÍâÐÇÎÄÃ÷
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û