²é¿´: 522  |  »Ø¸´: 0
¡¾ÐüÉͽð±Ò¡¿»Ø´ð±¾ÌûÎÊÌ⣬×÷Õßzx2329055½«ÔùËÍÄú 40 ¸ö½ð±Ò

zx2329055

гæ (СÓÐÃûÆø)

[ÇóÖú] ÇëÎÊvasp¼ÆËã¹ý¶É̬Ëãµ½Ò»°ë¿¨ËÀÊÇʲôԭÒò£¿

ÇëÎÊvasp¼ÆËã¹ý¶É̬Ëãµ½Ò»°ë¿¨ËÀÊÇʲôԭÒò£¿Ã»ÏÔʾ±¨´í£¬Ò²Ã»ÏÔʾ¼ÆËã½áÊø£¬ÎÒµÄÌåϵÓÐ108¸öÔ­×Ó£¬¸Ð¾õ¿ÉÄÜÊdzõʼ½á¹¹²»ºÏÀí¡£

ÇëÎÊÉèÖÃISTART=1£¬Ò»Ö±²»Í£µØ½Ó׿ÆËã¿ÉÒÔ½â¾öÕâ¸öÎÊÌâÂð£¿

INCAR£º
LCHAIN=0
ISTART=1
ICHARG=1
ISPIN=1
PREC=Normal
ENCUT=400
NELM=60
EDIFF=1e-3
EDIFFG=1e-1
NSW=100
ISMEAR=1
SIGMA=0.5
ISIF=2
LREAL=Auto
IBRION=2
POTIM=0.1
ICHAIN=0
LCLIMB=.TRUE.
SPRING=-5
IMAGES=8
IPOT=7
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌøת ÎÒÒª¶©ÔÄÂ¥Ö÷ zx2329055 µÄÖ÷Ìâ¸üÐÂ
²»Ó¦Öú È·¶¨»ØÌûÓ¦Öú (×¢Ò⣺ӦÖú²Å¿ÉÄܱ»½±Àø£¬µ«²»ÔÊÐí¹àË®£¬±ØÐëÌîд15¸ö×Ö·ûÒÔÉÏ)
×î¾ßÈËÆøÈÈÌûÍƼö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 335»¯¹¤Çóµ÷¼ÁºÏÊÊԺУ +3 ¸øÄã²¹¸öµ° 2024-03-28 3/150 2024-03-29 02:39 by ´¢ÄÜСվcc
[¿¼ÑÐ] Ë«Ò»Á÷¸ßУÄÏÁÖ£¬»¯Ñ§/»¯¹¤/²ÄÁÏ µ÷¼ÁÁªÏµ +12 wang333666 2024-03-24 17/850 2024-03-29 01:40 by °®¿ÞµÄÊÝÈõ¼¦×¦
[¿¼ÑÐ] »¯Ñ§¹¤³ÌÓë¼¼Êõ320Çóµ÷¼Á +11 Wjrjxmt 2024-03-28 11/550 2024-03-29 00:09 by ÕÅ»»´º
[¿¼ÑÐ] »¯Ñ§¹¤³ÌÓë¼¼Êõ£¨Ñ§Ë¶£©297Çóµ÷¼Á 5+4 @zÕÅͬѧ 2024-03-24 12/600 2024-03-28 23:29 by ftig
[»ù½ðÉêÇë] ½ñÄêµÄ¹úÉç¿Æ±¨Ãû֪ͨÔõô»¹²»·¢²¼£¿ +6 ÂÅÕ½ÂÅ°Ü 2024-03-27 6/300 2024-03-28 20:11 by ·çÉùº×²Ý
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤ 085602 »¯Ñ§¹¤³Ì 312·Ö Çó¸öµ÷¼Á»ú»á +7 liu85623724 2024-03-24 8/400 2024-03-28 20:07 by ÑÌ»ðÇáÑÔÉù
[¿¼ÑÐ] ³É¼¨297»¯Ñ§¹¤³Ì£¬Ïëµ÷¼Á£¬13935055270 +4 ŬÁ¦¼ÓÓÍÓÍ 2024-03-28 4/200 2024-03-28 20:05 by ÂóÌïÀïµÄÊØÍûÕß
[¿¼ÑÐ] 302Çóµ÷¼Á +6 ·¶ÖÇÇǦŠ2024-03-26 6/300 2024-03-28 14:55 by qlm5820
[¿¼ÑÐ] 297Çóµ÷¼Á +5 Î人¹¤³Ì´óѧÁõ¿ 2024-03-27 9/450 2024-03-28 08:05 by ÕÅâùºÀ1996
[¿¼ÑÐ] 332Çóµ÷¼Á081700 +10 yangzhuang1 2024-03-27 10/500 2024-03-28 07:35 by 313165yang
[¿¼ÑÐ] 312Çóµ÷¼Á +6 Å£ÈâÍè¾´¸æ 2024-03-22 6/300 2024-03-27 16:40 by tkdmxl
[¿¼ÑÐ] 309Çóµ÷¼Á +8 С±¿ÐÜ12138 2024-03-23 8/400 2024-03-27 16:26 by tkdmxl
[¿¼ÑÐ] 279Çóµ÷¼ÁÒ»Ö¾Ô¸»ª¶«Àí¹¤²ÄÁÏÓ뻯¹¤085602ר˶ +4 yt0312 2024-03-24 7/350 2024-03-27 16:21 by barlinike
[¿¼ÑÐ] 095135ʳƷ¼Ó¹¤Ó밲ȫ³õÊÔ271Çóµ÷¼Á +3 ·¢Ãæ±ýºÃºÃ³Ô 2024-03-23 5/250 2024-03-27 14:20 by YukiÑ©Ñ©
[¿¼ÑÐ] 315Çóµ÷¼Á +4 Sorappp 2024-03-27 5/250 2024-03-27 13:48 by 嫺£ÐÇÔÆ
[¿¼ÑÐ] ¹¤¿Æѧ˶296µ÷¼Á +3 Altasa 2024-03-23 3/150 2024-03-27 09:50 by 3µç×ÓÐÅÏ¢
[¿¼ÑÐ] Ò»Ö¾Ô¸Î人Àí¹¤²ÄÁÏѧ ѧ˶ 300·ÖÇóµ÷¼Á +4 ÏëÏòÉÏpao 2024-03-25 8/400 2024-03-27 08:49 by δÀ´¿ÉÆÚ¼òÖ±²»¶
[¿¼ÑÐ] »¯Ñ§¹¤³ÌÓë¼¼Êõ320Çóµ÷¼Á +12 Wjrjxmt 2024-03-23 14/700 2024-03-26 13:01 by helloѽ6
[¿¼ÑÐ] 299Çóµ÷¼Á +5 ¸Â¸Â¸ßÀä 2024-03-24 7/350 2024-03-25 18:27 by barlinike
[ÂÛÎÄͶ¸å] IEEE Transactions on Industrial InformaticsµÄÉó¸åÖÜÆÚÊǶà¾Ã£¿ +3 mollyzhang_2003 2024-03-22 5/250 2024-03-23 07:02 by mollyzhang_2003
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û