²é¿´: 777  |  »Ø¸´: 2

dyc_2008

¾èÖú¹ó±ö (ÖøÃûдÊÖ)

[ÇóÖú] ¹ØÓÚ¾²Ì¬×ÔÇ¢£¬ÎªÊ²Ã´ÅóÓÑÃǶ¼²»ÓóÚÔ¥µÄÀ´µÄWAVECAR¡¢ CHGCARÄØ£¿

´ó¼ÒºÃ£º

½á¹¹ÓÅ»¯ºó£¬×ö¾²Ì¬×ÔÇ¢£¬
ÔÚÂÛ̳Àï¿´ÁË¿´£¬ºÃ¶àÈ˶¼ÊÇûÓÐÓà ISTART=1¡¢ ICHARGE=1
¶øÇÒ ISTART=0 ICHARGE=2
·Å×ÅºÃºÃµÄ WAVECAR¡¢ CHGCAR,Ϊʲô´ó¼Ò¶¼²»Ó𡣬ÓÃÁË¿ÉÒÔ½ÚԼʱ¼ä¡£
ÄѵÀ»¹ÒªÊ²Ã´õèõΣ¿
ÏÈл¹ý´ó¼Ò
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

VASP

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

Ò»²¼¸£Ì¶þÐÞÆÐÌá
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

cenwanglai

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

ÀϺÍɽâ«ËöÅɾŶÎ

ÓÅÐã°æÖ÷

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
liliangfang(½ð±Ò+1): ¶àлÌáʾ 2011-12-23 15:07:01
dyc_2008(½ð±Ò+2): ÄãµÄÒâ˼ÊÇ˵£¬ÓÅ»¯¹ýºó£¬KPOINTSÓëWAVECAR²»Æ¥Å䣿 ËùÒÔ²»ÄÜÓã¿ 2011-12-23 15:12:54
dyc_2008(½ð±Ò+3): 2012-02-29 13:34:31
¿ÉÒÔÓÃCHGCAR¡£²»ÓÃWAVECARÊÇÒòΪ¾²Ì¬¼ÆËãºÍ½á¹¹ÓÅ»¯µÄKPOINTS¿ÉÄܲ»Ò»Ñù¡£
2Â¥2011-12-23 14:59:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

cenwanglai

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

ÀϺÍɽâ«ËöÅɾŶÎ

ÓÅÐã°æÖ÷

3Â¥2011-12-23 15:31:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ dyc_2008 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 311Çóµ÷¼Á +10 ¶¬Ê®Èý 2026-03-15 11/550 2026-03-18 09:04 by zhukairuo
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁϹ¤³Ì£¨085601£©×¨Ë¶ÓпÆÑо­ÀúÈýÏî¹ú½±Á½¸öʵÓÃÐÍרÀûÒ»ÏîÊ¡¼¶Á¢Ïî +6 ´ó»ðɽС»ðɽ 2026-03-16 8/400 2026-03-17 15:05 by ÎÞи¿É»÷111
[¿¼ÑÐ] ²ÄÁÏר˶274Ò»Ö¾Ô¸ÉÂÎ÷ʦ·¶´óѧÇóµ÷¼Á +5 Ñ¦ÔÆÅô 2026-03-13 5/250 2026-03-17 10:15 by Sammy2
[ÂÛÎÄͶ¸å] ÓÐûÓдóÀз¢Ð¡ÂÛÎÄÄÜ´øÎÒ¸ö¶þ×÷ +3 ÔöÈñ©ÈË 2026-03-17 4/200 2026-03-17 09:26 by xs74101122
[¿¼ÑÐ] [µ¼Ê¦ÍƼö]Î÷ÄϿƼ¼´óѧ¹ú·À/²ÄÁϵ¼Ê¦ÍƼö +3 ¼â½ÇСºÉ 2026-03-16 6/300 2026-03-16 23:21 by ¼â½ÇСºÉ
[¿¼ÑÐ] 286Çóµ÷¼Á +3 lemonzzn 2026-03-16 5/250 2026-03-16 20:43 by lemonzzn
[»ù½ðÉêÇë] ½ñÄêµÄ¹ú»ù½ðÊÇ´ò·ÖÖÆÂ𣿠50+3 zhanghaozhu 2026-03-14 3/150 2026-03-16 17:07 by ±±¾©À³ÒðÈóÉ«
[¿¼ÑÐ] 304Çóµ÷¼Á +4 ahbd 2026-03-14 4/200 2026-03-16 16:48 by ÎҵĴ¬Îҵĺ£
[¿¼ÑÐ] 304Çóµ÷¼Á +3 ÂüÊâ2266 2026-03-14 3/150 2026-03-16 16:39 by houyaoxu
[¿¼ÑÐ] 283Çóµ÷¼Á +10 С¥¡£ 2026-03-12 14/700 2026-03-16 16:08 by 13811244083
[¿¼ÑÐ] 085600µ÷¼Á +5 ÑúÑú123sun 2026-03-12 6/300 2026-03-16 15:58 by ÑúÑú123sun
[¿¼ÑÐ] 277²ÄÁÏ¿ÆÑ§Ó빤³Ì080500Çóµ÷¼Á +3 ×ÔÓɼå±ý¹û×Ó 2026-03-16 3/150 2026-03-16 14:10 by ÔËÆøyunqi
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼ÑÐ] 294Çóµ÷¼Á +3 Zys010410@ 2026-03-13 4/200 2026-03-15 10:59 by zhq0425
[¿¼ÑÐ] 297Ò»Ö¾Ô¸ÉϽ»085600Çóµ÷¼Á +5 Ö¸¼â°ËǧÀï 2026-03-14 5/250 2026-03-14 17:26 by a²»Ò×
[¿¼ÑÐ] 330Çóµ÷¼Á +3 ?½´¸øµ÷¼Á¹òÁË 2026-03-13 3/150 2026-03-14 10:13 by JourneyLucky
[¿¼ÑÐ] ¹¤¿Æ278·ÖÇóµ÷¼Á +5 ÖÜÂýÈȰ¡ 2026-03-12 7/350 2026-03-13 15:49 by JourneyLucky
[¿¼ÑÐ] 295Çóµ÷¼Á +3 Сذ×ÐÖ­ 2026-03-12 3/150 2026-03-13 15:17 by vgtyfty
[¿¼ÑÐ] »¯¹¤Ñ§Ë¶306Çóµ÷¼Á +9 42838695 2026-03-12 9/450 2026-03-13 10:16 by houyaoxu
[¿¼ÑÐ] 321Çóµ÷¼Á£¨Ê³Æ·/ר˶£© +3 xc321 2026-03-12 6/300 2026-03-13 08:45 by xc321
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û