²é¿´: 2137  |  »Ø¸´: 9
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

purplesdd

½ð³æ (ÕýʽдÊÖ)

[ÇóÖú] bcc½ðÊô﮽áºÏÄܼÆËãÓëÎÄÏ×Öвî±ðºÜ´ó

ÎÒÀûÓÃcastepµÄGGA-PBE¼ÆËã½ðÊô﮵ĽáºÏÄÜΪ-1.90eV,ÎÄÏ×ÖÐΪ-1.64eV£¬²î±ðҲ̫´óÁË£¬´ó¼Ò¶¼Ôõô´¦ÀíÕâÖÖÇé¿ö£¿
»Ø¸´´ËÂ¥
×îºÃµÄìøÓïÊÇ£º¸Ã³Ô·¹µÄʱºòºÃºÃ³Ô·¹£¬¸Ã˯¾õµÄʱºòºÃºÃ˯¾õ¡£
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

purplesdd

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
9Â¥: Originally posted by magicmonk at 2014-04-17 08:42:46
»¹ÊÇÓÃVASP°É¡­¡­CASTEPÖ»ÊʺÏÍæÒ»Íæ¡­¡­

лл¥Ö÷£¬×ÔѧÄÜÁ¦±È½Ï²î£¬VASPŪÁ˺ܾû¹ÊDz»»áÓÃ
×îºÃµÄìøÓïÊÇ£º¸Ã³Ô·¹µÄʱºòºÃºÃ³Ô·¹£¬¸Ã˯¾õµÄʱºòºÃºÃ˯¾õ¡£
10Â¥2014-04-18 09:42:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 10 ¸ö»Ø´ð

stractor

½ð³æ (ÖøÃûдÊÖ)

¡ï
fzx2008: ½ð±Ò+1, ллָµ¼ 2014-04-17 10:42:15
²»ÒªÈÏΪ±ðÈ˼ÆËãµÄ¾Í¸ü׼ȷ£¬ÅúÅеÄÔĶÁÎÄÏס£

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

2Â¥2014-04-15 20:53:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

purplesdd

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by stractor at 2014-04-15 20:53:57
²»ÒªÈÏΪ±ðÈ˼ÆËãµÄ¾Í¸ü׼ȷ£¬ÅúÅеÄÔĶÁÎÄÏס£

àÅ£¬Ææ¹ÖµÄÊÇÓеÄÎÄÏ×ÖÐÊÇ-1.63eV£¬ÓеÄÊÇ-1.008eV£¬Ò²ÊÇÏà²îºÜ¶àµÄ£¬´ó¼Ò¸÷ÒýÓÃÎÄÏ×˵Ã÷×Ô¼ºµÄÕýÈ·£¬ÕâÄѵÀÊDzÄÁϼÆËãµÄ¹ßÀýÂð£¿
×îºÃµÄìøÓïÊÇ£º¸Ã³Ô·¹µÄʱºòºÃºÃ³Ô·¹£¬¸Ã˯¾õµÄʱºòºÃºÃ˯¾õ¡£
3Â¥2014-04-16 14:41:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

purplesdd

½ð³æ (ÕýʽдÊÖ)

Ëͺ컨һ¶ä
ÒýÓûØÌû:
2Â¥: Originally posted by stractor at 2014-04-15 20:53:57
²»ÒªÈÏΪ±ðÈ˼ÆËãµÄ¾Í¸ü׼ȷ£¬ÅúÅеÄÔĶÁÎÄÏס£

ËÍÄúÒ»¶äС»¨£¬ÒÔ±í¸Ð¼¤£¡
×îºÃµÄìøÓïÊÇ£º¸Ã³Ô·¹µÄʱºòºÃºÃ³Ô·¹£¬¸Ã˯¾õµÄʱºòºÃºÃ˯¾õ¡£
4Â¥2014-04-16 14:41:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϾ©Àí¹¤´óѧ085701×ÊÔ´Óë»·¾³302·ÖÇóµ÷¼Á +3 ¿ûè÷ÎÀ¶Ó 2026-03-18 5/250 2026-03-19 19:35 by ¸øÄãÄã×¢ÒâÐÝÏ¢
[¿¼ÑÐ] 321Çóµ÷¼Á +8 ºÎÈó²É123 2026-03-18 10/500 2026-03-19 16:46 by ºÎÈó²É123
[¿¼ÑÐ] ¡¾¿¼Ñе÷¼Á¡¿»¯Ñ§×¨Òµ 281·Ö£¬Ò»Ö¾Ô¸ËÄ´¨´óѧ£¬³ÏÐÄÇóµ÷¼Á +5 ³Ô³Ô³Ô²ÅÓÐÒâÒå 2026-03-19 5/250 2026-03-19 16:18 by 30660438
[¿¼ÑÐ] 287Çóµ÷¼Á +3 ³¿»èÏßÓëÐǺ£ 2026-03-19 4/200 2026-03-19 12:32 by peike
[¿¼ÑÐ] 281Çóµ÷¼Á£¨0805£© +9 ÑÌÏ«Ò亣 2026-03-16 19/950 2026-03-19 11:42 by laoshidan
[¿¼ÑÐ] 26µ÷¼Á/²ÄÁÏ/Ó¢Ò»Êý¶þ/×Ü·Ö289/ÒѹýAÇøÏß +7 ²½´¨¿á×Ï123 2026-03-13 7/350 2026-03-18 17:12 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] »¯Ñ§¹¤³Ì321·ÖÇóµ÷¼Á +15 ´óÃ×·¹£¡ 2026-03-15 18/900 2026-03-18 14:52 by haxia
[¿¼ÑÐ] 304Çóµ÷¼Á +12 СÐÜjoy 2026-03-14 13/650 2026-03-18 12:34 by Linda Hu
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +3 ÄÝÄÝninicgb 2026-03-17 3/150 2026-03-18 10:29 by macy2011
[¿¼ÑÐ] 293Çóµ÷¼Á +11 zjlµÄºÅ 2026-03-16 16/800 2026-03-18 08:10 by zhukairuo
[¿¼²©] 26²©Ê¿ÉêÇë +3 1042136743 2026-03-17 3/150 2026-03-17 23:30 by ÇáËɲ»ÉÙËæ
[»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] ²ÄÁÏÓ뻯¹¤×¨Ë¶µ÷¼Á +5 heming3743 2026-03-16 5/250 2026-03-17 14:03 by Ó¸ÒÌ«¼àÍõ¹«¹«
[¿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] 283Çóµ÷¼Á +3 Ìý·ç¾ÍÊÇÓꣻ 2026-03-16 3/150 2026-03-17 07:41 by ÈÈÇéɳĮ
[¿¼ÑÐ] 326Çóµ÷¼Á +4 ŵ±´¶û»¯Ñ§½±êéê 2026-03-15 7/350 2026-03-16 17:11 by ŵ±´¶û»¯Ñ§½±êéê
[¿¼ÑÐ] Ò»Ö¾Ô¸211 0703·½Ïò310·ÖÇóµ÷¼Á +3 ŬÁ¦·Ü¶·112 2026-03-15 3/150 2026-03-16 16:44 by houyaoxu
[¿¼ÑÐ] 304Çóµ÷¼Á +3 ÂüÊâ2266 2026-03-14 3/150 2026-03-16 16:39 by houyaoxu
[¿¼ÑÐ] ±¾¿ÆÄϾ©´óѧһ־Ը´¨´óҩѧ327 +3 ÂóÌï¸ûÕß 2026-03-14 3/150 2026-03-14 20:04 by ÍâÐÇÎÄÃ÷
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤ 323 Ó¢Ò»+Êý¶þ+Îﻯ£¬Ò»Ö¾Ô¸£º¹þ¹¤´ó ±¾È˱¾¿ÆË«Ò»Á÷ +4 ×ÔÓɵÄ_·ÉÏè 2026-03-13 5/250 2026-03-14 19:39 by hmn_wj
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û