²é¿´: 26329  |  »Ø¸´: 462
¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û253´Î£¬×÷ÕßǰÌïÇì´ÎÔö¼Ó½ð±Ò 200.2 ¸ö

ǰÌïÇì´Î

ľ³æ (ÖøÃûдÊÖ)


[×ÊÔ´] ·¢Ò»¸öÕÅÈÊÇÙ½ÌÊÚÓÃvesta×ö²î·ÖµçºÉµÄ½Ì³Ì

Ï൱Ïêϸ£¡
ÇëÎðÕ¾ÄÚÐÅÁªÏµ£¬²»¿°ÆäÈÅ£¬Ð»Ð»£¡
»Ø¸´´ËÂ¥

» ±¾Ìû¸½¼þ×ÊÔ´Áбí

  • »¶Ó­¼à¶½ºÍ·´À¡£ºÐ¡Ä¾³æ½öÌṩ½»Á÷ƽ̨£¬²»¶Ô¸ÃÄÚÈݸºÔð¡£
    ±¾ÄÚÈÝÓÉÓû§×ÔÖ÷·¢²¼£¬Èç¹ûÆäÄÚÈÝÉæ¼°µ½ÖªÊ¶²úȨÎÊÌ⣬ÆäÔðÈÎÔÚÓÚÓû§±¾ÈË£¬Èç¶Ô°æÈ¨ÓÐÒìÒ飬ÇëÁªÏµÓÊÏ䣺xiaomuchong@tal.com
  • ¸½¼þ 1 : ²î·ÖµçºÉ×ö·¨Charge_density_difference.pdf
  • 2014-12-02 15:20:29, 3.23 M

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

¾­µä×ÊÔ´Ìû ×ÊÔ´ÊÕ¼¯ VASP VASP
µÚÒ»ÐÔÔ­ÀíÏà¹ØÎĵµ vasp¼ÆËã×ÊÁÏ ×ÊÔ´ ¼ÆËã-vasp
VESTA»ã×Ü ·Ö×Ó¶¯Á¦Ñ§ µÚÒ»ÐÔÔ­ÀíÔÓ ²î·ÖµçºÉÃܶÈ
Á¿»¯Èí¼þ ÎҵĵÚÒ»ÐÔÔ­Àí ¼ÆËã ¼ÆË㻯ѧ
¸÷ÖÖ¸÷ÑùµÄÈí¼þ vesta vasp ÊÕ²Ø

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

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

dalongmao

ľ³æ (ÕýʽдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

§Ý§Ý
18Â¥2014-12-03 08:39:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÔÂÓ°¹«×Ó

Ìú³æ (³õÈëÎÄ̳)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

·Ç³£²»´í£¬ÖµµÃÍÆ¼ö£¬¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
36Â¥2014-12-04 13:48:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ʧ°ÜµÄ·ÈË

ľ³æ (ÕýʽдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

²»´í²»´í£¬³ÃÈȵã¸öÔÞ
37Â¥2014-12-04 13:53:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÓÒ?J

Òø³æ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

thanks! ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
50Â¥2014-12-05 14:27:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
yh31662Â¥
2014-12-02 16:31   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2014-12-02 17:39   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
tsglss4Â¥
2014-12-02 19:40   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wangjb4015Â¥
2014-12-02 19:41   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
tsglss6Â¥
2014-12-02 19:41   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ifmc12347Â¥
2014-12-02 19:59   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2014-12-02 20:37   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
mink9Â¥
2014-12-02 20:50   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
courage20110Â¥
2014-12-02 21:07   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2014-12-02 21:22   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Àî¼Óΰ12Â¥
2014-12-02 22:15   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2014-12-02 23:02   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
luxia021014Â¥
2014-12-02 23:49   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wtiger15Â¥
2014-12-03 00:39   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
farfaraway0816Â¥
2014-12-03 08:25   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
xmc21217Â¥
2014-12-03 08:34   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wonderflyer19Â¥
2014-12-03 09:20   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
dongbaojuan20Â¥
2014-12-03 09:26   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wdxiao21Â¥
2014-12-03 09:28   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
caipingl22Â¥
2014-12-03 10:23   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
guodonglin23Â¥
2014-12-03 11:08   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wangwenju24Â¥
2014-12-03 11:39   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wzbhit25Â¥
2014-12-03 12:56   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
gmjyc26Â¥
2014-12-03 13:42   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
lics1987021027Â¥
2014-12-03 14:01   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Minato128Â¥
2014-12-03 14:38   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
tea3041304129Â¥
2014-12-03 14:43   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
lfhuang30Â¥
2014-12-03 21:06   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2014-12-04 08:56   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2014-12-04 09:19   »Ø¸´  
ÈýÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
zplou33Â¥
2014-12-04 09:30   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2014-12-04 13:00   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
liangpei35Â¥
2014-12-04 13:05   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
hhbingf38Â¥
2014-12-04 15:40   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
xzyme39Â¥
2014-12-04 16:47   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
MCXX201440Â¥
2014-12-04 16:57   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
gate_open41Â¥
2014-12-04 18:11   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
×ÏÌ´É«42Â¥
2014-12-04 20:06   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
dyc_200843Â¥
2014-12-04 21:16   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2014-12-04 22:02   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
һɽ45¥
2014-12-05 09:53   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
qfwuli46Â¥
2014-12-05 11:02   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
zyjsky0147Â¥
2014-12-05 12:08   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
redsnowolf48Â¥
2014-12-05 12:47   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
liaoÔÆ49Â¥
2014-12-05 13:22   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ǰÌïÇì´Î µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 292Çóµ÷¼Á +6 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-25 7/350 2026-03-25 22:04 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 332Çóµ÷¼Á +5 032500 2026-03-25 5/250 2026-03-25 21:33 by Aoyijiang
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖÐÄÏ´óѧ»¯Ñ§Ñ§Ë¶0703×Ü·Ö337Çóµ÷¼Á +7 niko- 2026-03-22 7/350 2026-03-25 20:14 by qingfeng258
[¿¼ÑÐ] 0854AI CV·½ÏòÕÐÊÕµ÷¼Á +4 ÕÂСÓã567 2026-03-23 4/200 2026-03-25 17:04 by CoderLoser
[¿¼ÑÐ] ¸÷λÀÏʦÄúºÃ£º±¾È˳õÊÔ372·Ö +5 jjÓ¿77 2026-03-25 6/300 2026-03-25 14:15 by mapenggao
[¿¼ÑÐ] Çóµ÷¼Á323²ÄÁÏÓ뻯¹¤ +4 1124361 2026-03-24 4/200 2026-03-25 11:19 by shulmg
[¿¼ÑÐ] 287Çóµ÷¼Á +10 ³¿»èÏßÓëÐǺ£ 2026-03-19 11/550 2026-03-25 10:35 by userper
[¿¼ÑÐ] 086003ʳƷ¹¤³ÌÇóµ÷¼Á +6 íµíµ111 2026-03-24 6/300 2026-03-25 10:29 by 3Strings
[¿¼ÑÐ] ²ÄÁÏѧÇóµ÷¼Á +6 Stella_Yao 2026-03-20 6/300 2026-03-25 00:37 by baoball
[¿¼ÑÐ] 070300»¯Ñ§Çóµ÷¼Á +9 Ô·¶¹¶¹ 2026-03-20 9/450 2026-03-24 17:15 by licg0208
[¿¼ÑÐ] ²ÄÁÏ292µ÷¼Á +8 éÙËÌ˼ÃÀÈË 2026-03-23 8/400 2026-03-24 16:33 by laoshidan
[¿¼ÑÐ] ¡¾Ë«Ò»Á÷ԺУÐÂÄÜÔ´¡¢»·¾³²ÄÁÏ£¬²ÄÁϼӹ¤ÓëÄ£ÄâÕÐÊÕ´óÁ¿µ÷¼Á¡¿ +4 Higraduate 2026-03-22 7/350 2026-03-24 11:23 by ÖÖ´óÊ÷
[¿¼ÑÐ] 336Çóµ÷¼Á +4 ÊÕµ½VS 2026-03-20 4/200 2026-03-23 19:02 by macy2011
[¿¼ÑÐ] ÇóÀÏʦÊÕÎÒ +3 zzh16938784 2026-03-23 3/150 2026-03-23 12:56 by ztnimte
[¿¼ÑÐ] 306Çóµ÷¼Á +5 À´ºÃÔËÀ´À´À´ 2026-03-22 5/250 2026-03-22 16:17 by BruceLiu320
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤306 +4 z1z2z3879 2026-03-21 4/200 2026-03-21 23:44 by ms629
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄÏ´ó£¬0703»¯Ñ§£¬·ÖÊý336£¬Çóµ÷¼Á +3 ÊÕµ½VS 2026-03-21 3/150 2026-03-21 18:42 by ѧԱ8dgXkO
[¿¼ÑÐ] 336Çóµ÷¼Á +5 rmc8866 2026-03-21 5/250 2026-03-21 17:24 by ѧԱ8dgXkO
[¿¼ÑÐ] 279Çóµ÷¼Á +5 ºìÒÂÒþ¹Ù 2026-03-21 5/250 2026-03-21 14:59 by lature00
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁÏÇóµ÷¼Á£¬×Ü·Ö315£¨Ó¢Ò»£© +5 sbdksD 2026-03-19 5/250 2026-03-20 22:10 by luoyongfeng
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û