±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1219  |  »Ø¸´: 10
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

·ãÓðIMR

½ð³æ (ÕýʽдÊÖ)


[½»Á÷] Bond order (BO) analysis@VASP

ʹÓÃVASPÓÐÒ»¶Îʱ¼äÁË£¬µ«Ò»Ö±Ã»¼ûÓÐÓÃVASP×öbond order (BO) analysisµÄ¹¤×÷£¬ÏëÇë½Ìϳæ×ÓÃÇÓÐÈËÓÃVASP»òVASP¼ÆËãµÃµ½µÄ½á¹û×ö¹ýbond order (BO) analysisÂð£¿ÈçÓУ¬Çë½»Á÷ÏÂʹÓõÄÐĵÃÌå»á£¬Ð»Ð»£¡
»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

jondan

ľ³æ (ÖøÃûдÊÖ)


¡ï
·ãÓðIMR(½ð±Ò+1): лл²ÎÓë
?????????????????????????????????????
9Â¥2013-12-07 19:49:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 11 ¸ö»Ø´ð

·ãÓðIMR

½ð³æ (ÕýʽдÊÖ)


Óеã˼·ÁË£¬Òª¼ÆËãmaximally localized Wannier functions£¬ÓÃËüÀ´¹¹½¨localized molecular orbitals£¬¾ßÌ弯ËãÐèÓõ½Wannier90£¬¼ÌÐøÑ§Ï°ÖÐ
10Â¥2013-12-07 21:11:37
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸£ºÎ÷±±´óѧ£¬Ó¢Ò»ÊýÒ»408-284·ÖÇóµ÷¼Á +5 12.27 2026-03-27 5/250 2026-03-30 19:31 by Ô´_2020
[¿¼ÑÐ] 085600 295·ÖÇóµ÷¼Á +5 W55j 2026-03-30 7/350 2026-03-30 18:29 by °¡Àî999
[¿¼ÑÐ] 070300»¯Ñ§354Çóµ÷¼Á +7 101´ÎÏ£Íû 2026-03-28 7/350 2026-03-30 13:22 by Iveryant
[˶²©¼ÒÔ°] Çóµ÷¼Á Óлú»¯Ñ§¿¼ÑÐ356·Ö +10 Nadiums 2026-03-25 11/550 2026-03-30 11:56 by yjolah
[¿¼ÑÐ] 290Çóµ÷¼Á +3 dfffsar 2026-03-29 3/150 2026-03-29 22:38 by ëë밢Ī2
[¿¼ÑÐ] Ò»Ö¾Ô¸Î人Àí¹¤£¬×Ü·Ö321£¬Ó¢Ò»Êý¶þ£¬ÇóÀÏʦÊÕÁô¡£ +11 nnnnnnn5 2026-03-25 11/550 2026-03-29 20:42 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] һ־Ը˫һÁ÷»úе285·ÖÇóµ÷¼Á +4 ÐÒÔ˵ÄÈýľ 2026-03-29 5/250 2026-03-29 14:49 by Miko19
[¿¼ÑÐ] µ÷¼Á¿¼ÑÐ +3 Íõ½ÜÒ» 2026-03-29 3/150 2026-03-29 08:09 by fmesaito
[¿¼ÑÐ] һ־Ը̫ԭÀí¹¤°²È«¹¤³Ì300·Ö£¬Çóµ÷¼Á +5 0857Çóµ÷¼Á. 2026-03-24 6/300 2026-03-28 22:04 by zhq0425
[¿¼ÑÐ] 085701»·¾³¹¤³Ì£¬267Çóµ÷¼Á +16 minht 2026-03-26 16/800 2026-03-28 12:16 by zllcz
[¿¼ÑÐ] 086502»¯Ñ§¹¤³Ì342Çóµ÷¼Á +6 °¢Ò̸´¹Å²»¹ý 2026-03-27 6/300 2026-03-28 07:06 by wangy0907
[¿¼ÑÐ] 340Çóµ÷¼Á +5 jhx777 2026-03-27 5/250 2026-03-28 04:18 by fmesaito
[¿¼ÑÐ] 0856µ÷¼Á +5 ÇóÇóÈÃÎÒÓÐÊé¶Á° 2026-03-26 6/300 2026-03-27 15:12 by caszguilin
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á£¬Ò»Ö¾Ô¸ÄÏÅ©083200ʳƷ¿ÆÑ§Ó빤³Ì +5 XQTJZ 2026-03-26 5/250 2026-03-27 14:49 by ¿ñìÅÂóµ±µ±
[¿¼ÑÐ] µ÷¼Á +3 Àî¼Îͼ¡¤S¡¤Â· 2026-03-27 3/150 2026-03-27 11:19 by wangjy2002
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ª´ó071010£¬316·ÖÇóµ÷¼Á +3 xgbiknn 2026-03-27 3/150 2026-03-27 10:36 by guoweigw
[¿¼ÑÐ] 0703»¯Ñ§338Çóµ÷¼Á£¡ +6 Zuhui0306 2026-03-26 7/350 2026-03-27 10:35 by shangxh
[¿¼ÑÐ] 321Çóµ÷¼Á +6 Ymlll 2026-03-24 6/300 2026-03-26 20:50 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ªÁÖ´óѧ²ÄÁÏÓ뻯¹¤303·ÖÇóµ÷¼Á +4 Ϊѧ666 2026-03-24 4/200 2026-03-25 11:27 by BruceLiu320
[¿¼ÑÐ] Ò»Ö¾Ô¸±±»¯315 Çóµ÷¼Á +3 akrrain 2026-03-24 3/150 2026-03-24 19:35 by ÁËÁËÁËÁË¡£¡£
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û