±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 619  |  »Ø¸´: 5

zuocuiping

ľ³æ (Ö°Òµ×÷¼Ò)


[½»Á÷] ±ÈÀýϵÊý

½ñÌì¸Ð¾õËùÓеļÆË㲻̫¶ÔÁË
ÎÒµÄÎÊÌâÈçÏÂ
ÎÒÊÇÓõ¥°û¼ÆË㿪ʼµÄ
µÚÒ»²½£ºÔÚMSÀィºÃÄ£ÐÍ£¬µ¼³öÔ­×Ó×ø±ê
È»ºó¸Ä³ÉPOSCAR±ÈÈç¹è
System=SI
1.0
¡£¡£¡£¡£
ÎÒÏÖÔÚ²âÊÔ½²1.0¸ÄΪ´Ó0.95µ½1.05²âÊÔ£¬
¿´ÄÜÁ¦ÄǸö×îµÍ
±ÈÈç1.01×îµÍ
ÄÇÎÒÎÒ¾ÍÑ¡1.01×öΪ±ÈÀýϵÊý
È»ºóÓÅ»¯
2Èç¹û½¨¸ö³¬°ûÖ®ºó£¬ÎÒµÄPOSCARµÄ±ÈÀýϵÊý»¹È¥1.01Âð£¿
ÓÐÈË˵ÓÃ1.00ÁË
ÇëÎÊÓÃÄǸö±È½ÏºÃÄØ£¿
лл
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

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

zuocuiping

ľ³æ (Ö°Òµ×÷¼Ò)


ÎÒÓõÄÊÇvasp ¼ÆËãµÄ
лл
2Â¥2013-11-01 16:43:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡ï ¡ï ¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
zuocuiping: ½ð±Ò+1 2013-11-01 17:13:17
identation: ½ð±Ò+1, лл½»Á÷ 2013-11-01 18:47:19
1.01 µÃµ½ÄÜÁ¿×îµÍ
supercell ®”ȻҲҪÓà 1.01
3Â¥2013-11-01 16:52:16
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zuocuiping

ľ³æ (Ö°Òµ×÷¼Ò)


ÒýÓûØÌû:
3Â¥: Originally posted by jpchou at 2013-11-01 16:52:16
1.01 µÃµ½ÄÜÁ¿×îµÍ
supercell ®”ȻҲҪÓà 1.01

ÕæµÄÂð£¿
ºÃµÄ
лл
ÎÒÓÅ»¯Íêµ¥°ûºó
ÔÚµ¼Èëµ½MSÀï
½¨³É³¬°û
È»ºó½«³¬°ûµÄÔ­×Ó×ø±êµ¼³ö
¸Ä³ÉPOSCAR
ÕâÊǵıÈÀýϵÊýÈ¡1.01
µ«ÊÇÎÒµÄteacher˵ÎÒÈ¡´íÁË
4Â¥2013-11-01 17:06:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
4Â¥: Originally posted by zuocuiping at 2013-11-01 17:06:29
ÕæµÄÂð£¿
ºÃµÄ
лл
ÎÒÓÅ»¯Íêµ¥°ûºó
ÔÚµ¼Èëµ½MSÀï
½¨³É³¬°û
È»ºó½«³¬°ûµÄÔ­×Ó×ø±êµ¼³ö
¸Ä³ÉPOSCAR
ÕâÊǵıÈÀýϵÊýÈ¡1.01
µ«ÊÇÎÒµÄteacher˵ÎÒÈ¡´íÁË...

unit cell éL¶È±ÈÀýϵ”µ 1.01
supercell Ò»¶¨Ò²ÊÇ 1.01
ÄãµÄ teacher ÕfÄãÈ¡åeÁË•r
›]ÓиúÄãÕfÄãÊÇÄÇÑeÈ¡åe‹ß

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

5Â¥2013-11-02 02:13:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zuocuiping

ľ³æ (Ö°Òµ×÷¼Ò)


Ëͺ컨һ¶ä
ÒýÓûØÌû:
5Â¥: Originally posted by jpchou at 2013-11-02 02:13:55
unit cell éL¶È±ÈÀýϵ”µ 1.01
supercell Ò»¶¨Ò²ÊÇ 1.01
ÄãµÄ teacher ÕfÄãÈ¡åeÁË•r
›]ÓиúÄãÕfÄãÊÇÄÇÑeÈ¡åe‹ß...

ÎÒÏÖÔÚ¾õµÃÎÒÊǶÔÁË
˵½¨³¬°ûºó
µ¼³öÊý¾Ýºó
¾§¸ñ³£Êý¾§¸ñ³£ÊýÁË
ËùÒÔ±ÈÀýÊÇ1.00ÁË
ÎÒ¿´ÁË
»¹ÊÇ1.01¶ÔµÄ
¶ø²»ÊÇ1.00
ÕâÊÇMSºÍvaspת»¯Òª×¢ÒâµÄ
ллÄã
6Â¥2013-11-02 10:51:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ zuocuiping µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[˶²©¼ÒÔ°] Çóµ÷¼Á Óлú»¯Ñ§¿¼ÑÐ356·Ö +4 Nadiums 2026-03-25 5/250 2026-03-29 21:00 by ÌÆãå¶ù
[¿¼ÑÐ] »¯Ñ§0703 µ÷¼Á 306·Ö Ò»Ö¾Ô¸211 +7 26ÒªÉϰ¶ 2026-03-28 7/350 2026-03-29 20:04 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] Çóµ÷¼Á +9 ÕÅzz111 2026-03-27 10/500 2026-03-29 14:57 by ÌÆãå¶ù
[¿¼ÑÐ] 289Çóµ÷¼Á +13 ÐÂʱ´ú²ÄÁÏ 2026-03-27 13/650 2026-03-29 01:16 by 544594351
[¿¼ÑÐ] 394Çóµ÷¼Á +3 ºÃʶàÄ¥¾²ºò¼ÑÒ 2026-03-26 5/250 2026-03-28 14:24 by ÌÆãå¶ù
[¿¼ÑÐ] 308Çóµ÷¼Á +7 īīĮ 2026-03-27 7/350 2026-03-28 07:43 by ÈÈÇéɳĮ
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤µ÷¼Á +10 A-¶ßÀ²ZÃÎ 2026-03-23 16/800 2026-03-27 15:13 by caszguilin
[¿¼ÑÐ] 298µ÷¼Á +3 jiyingjie123 2026-03-27 3/150 2026-03-27 11:57 by wxiongid
[¿¼ÑÐ] 324Çóµ÷¼Á +5 hanamiko 2026-03-26 5/250 2026-03-27 10:33 by wangjy2002
[¿¼ÑÐ] 359Çóµ÷¼Á +4 ÍõÁ˸öéª 2026-03-25 4/200 2026-03-27 08:43 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 324Çóµ÷¼Á +8 hanamiko 2026-03-26 10/500 2026-03-27 08:06 by hypershenger
[¿¼ÑÐ] µ÷¼Á +4 èÖèÖyoyo 2026-03-26 4/200 2026-03-26 20:43 by fmesaito
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +3 ´Þwj 2026-03-26 3/150 2026-03-26 19:57 by nihaoar
[¿¼ÑÐ] 281Çóµ÷¼Á +6 Koxui 2026-03-24 7/350 2026-03-26 15:37 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] Ò»Ö¾Ô¸ ÄϾ©Óʵç´óѧ 288·Ö ²ÄÁÏ¿¼ÑÐ Çóµ÷¼Á +3 jl0720 2026-03-26 3/150 2026-03-26 13:39 by zzll406
[¿¼ÑÐ] 303Çóµ÷¼Á +6 À¶É½Ô 2026-03-25 6/300 2026-03-25 22:47 by 418490947
[¿¼ÑÐ] ÉúÎï¼¼ÊõÓ빤³Ì +3 1294608413 2026-03-25 4/200 2026-03-25 18:02 by 1294608413
[¿¼ÑÐ] 318Çóµ÷¼Á +3 plumÀî×Ó 2026-03-23 3/150 2026-03-25 09:42 by ÎíÉ¢ºóÏàÓölc
[¿¼ÑÐ] Çóµ÷¼Á +6 ÑÐÑУ¬½Óµç»° 2026-03-24 7/350 2026-03-24 17:01 by barlinike
[¿¼ÑÐ] 080500Çóµ÷¼Á +3 zzzzfan 2026-03-24 3/150 2026-03-24 16:38 by barlinike
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û