±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 2067  |  »Ø¸´: 4

ϦÑôÎ÷ÏÂ

½ð³æ (ÖøÃûдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿VASP¼ÆËãµç×Ó̬ÃܶÈʱÌáʾ´íÎóWAVECAR ÒÑÓÐ4È˲ÎÓë

number of k-points has changed, file: 288 present: 550
  trying to continue reading WAVECAR, but it might fail
WARNING: stress and forces are not correct
ÈçÉÏËùʾ£¬¼ÆËãµç×Ó̬ÃܶÈʱÊDz»ÊDz»ÐèÒª°Ñ¾²Ì¬¼ÆËã³öµÄWAVECAR¸´ÖƹýÀ´£¿Ö»ÐèÒª°ÑµçºÉÃܶȸ´ÖƾͿÉÒÔÁË£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

wujiandongde

ľ³æ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÎÒÒ²Óöµ½Õâ¸öÎÊÌ⣬ÆÚ´ý¸ßÊÖ½â´ð¡£¡£¡£
2Â¥2011-04-11 19:27:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

285058420

ľ³æ (ÕýʽдÊÖ)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
bingmou(½ð±Ò+1): ¾ßÌåµã 2011-04-12 15:05:31
ÔÚINCARÀïIstart ºÍIchargÉèÖÃһϾͺÃÁË
3Â¥2011-04-12 10:21:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ϦÑôÎ÷ÏÂ

½ð³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
Originally posted by 285058420 at 2011-04-12 10:21:13:
ÔÚINCARÀïIstart ºÍIchargÉèÖÃһϾͺÃÁË

¾ßÌåÔõôÉèÖã¿Ð»Ð»°¡
4Â¥2011-04-12 10:56:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Çá·çÁúÆïÊ¿

гæ (³õÈëÎÄ̳)

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
zzy870720z(½ð±Ò+2): ллָ½Ì 2011-04-14 08:54:02
ÒýÓûØÌû:
Originally posted by ϦÑôÎ÷Ï at 2011-04-12 10:56:31:
¾ßÌåÔõôÉèÖã¿Ð»Ð»°¡

ISTART = 1£¬ICHARG = 11 ±íʾʹÓÃÒÑÓеÄCHGCARºÍWAVECAR£¬µ«ÊÇÒ»°ãÎÒ×ö̬ÃܶȵÄʱºò£¬Á½¸ö¶¼ÊǾ²Ì¬¼ÆËãÖ±½Ó¸´ÖƵ쬶øÇÒ´Ó¾²Ì¬¼ÆËã¾ÍÔö¼ÓÁËKµãÃܶÈ
×ÔÈ»ÈçºÎ³ÊÏÖ¸øÎÒÃÇ£¬È¡¾öÓÚÎÒÃÇÓöàÉÙʱ¼äÈ¥¹Û²ìËû
5Â¥2011-04-13 23:01:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ϦÑôÎ÷Ï µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤371Çóµ÷¼Á +13 ÅãÁÕ¿´º£ 2026-04-04 14/700 2026-04-06 00:58 by fmesaito
[¿¼ÑÐ] Çóµ÷¼Á +10 Hllºú 2026-04-04 10/500 2026-04-05 20:09 by nepu_uu
[¿¼ÑÐ] 348Çóµ÷¼Á +6 wukira 2026-04-04 6/300 2026-04-05 18:11 by Öí»á·É
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +3 asdasdassda 2026-04-05 3/150 2026-04-05 17:26 by zhousanduo
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +8 ÏàÐűػá¹ââÍòÕ 2026-04-05 10/500 2026-04-05 12:19 by Hdyxbekcb
[¿¼ÑÐ] ²ÄÁÏר˶306Ó¢Ò»Êý¶þ +8 z1z2z3879 2026-03-31 8/400 2026-04-04 22:08 by hemengdong
[¿¼ÑÐ] 283Çóµ÷¼Á +4 mcbbc 2026-04-03 5/250 2026-04-04 20:51 by imissbao
[¿¼ÑÐ] 321Çóµ÷¼Á +6 ÈÏÕæÇóÉÏѧ 2026-04-03 6/300 2026-04-04 19:51 by dongzh2009
[¿¼ÑÐ] 266Çóµ÷¼Á +8 ѧԱ97LZgn 2026-04-03 8/400 2026-04-04 09:02 by 20021109
[¿¼ÑÐ] 281Çóµ÷¼Á +10 aaawhy 2026-04-03 10/500 2026-04-03 21:42 by lbsjt
[¿¼ÑÐ] 274Çóµ÷¼Á +9 ˳Àí³ÉÕÅ 2026-04-03 10/500 2026-04-03 15:10 by °¡¿¡£¡
[¿¼ÑÐ] 315Çóµ÷¼Á +6 ˳Àí³ÉÕÅ 2026-04-03 8/400 2026-04-03 14:04 by °ÙÁéͯ888
[¿¼ÑÐ] ÊýÒ»Ó¢Ò»285Çóµ÷¼Á +7 AZMK 2026-04-03 9/450 2026-04-03 13:03 by ms629
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¶«Àí¹¤´óѧ£¬080500ѧ˶£¬317·Ö£¬Çóµ÷¼Á +13 s1145 2026-03-31 15/750 2026-04-03 11:44 by msi123
[¿¼ÑÐ] Çóµ÷¼Á +7 Aniyaio 2026-04-02 7/350 2026-04-02 16:42 by zzsw+
[¿¼ÑÐ] 08¿ªÍ·¿´¹ýÀ´£¡£¡£¡ +4 wwwwffffff 2026-03-31 6/300 2026-04-02 11:42 by ¾ùÖµ»Ø¹é
[¿¼ÑÐ] 271Çóµ÷¼Á +15 ÀÕ²¼ÀÊ@ 2026-03-31 20/1000 2026-04-02 11:24 by Sammy2
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +12 Ò»ÑùYWY 2026-04-01 12/600 2026-04-02 00:21 by °ÙÃë¹âÄê
[¿¼ÑÐ] 085600 Ò»Ö¾Ô¸9 ×Ü·Ö351 Çóµ÷¼ÁѧУ +7 czhcz 2026-03-31 9/450 2026-04-01 19:24 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 349Çóµ÷¼Á +6 ³ÔµÄ²»ÉÙ 2026-04-01 6/300 2026-04-01 17:55 by JYD2011
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û