±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 3730  |  »Ø¸´: 13
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

wang-lf09

ľ³æ (СÓÐÃûÆø)

[ÇóÖú] ¼ÆËãµÄµ¥²ãʯīϩÄÜ´øÔõôÓëÎÄÏ׵IJ»Ò»Ñù£¬ÇóÖ¸µ¼£¡ ÒÑÓÐ4È˲ÎÓë

ÎÒ²ÉÓÃͼÖг¤·½Ðνṹ¼ÆËãµ¥²ãʯīϩµÄÄÜ´ø£¬µÃµ½µÄÄÜ´øÍ¼ÈçÓÒ±ßËùʾ£¬²»ÖªµÀfermiÄܼ¶´¦ÊÇ·ñºÏÀí£¿·ÑÃ×Äܼ¶Ï±߲¿·ÖºÃÏñ»¹ËãÕý³££¬µ«ÉϱßÔõô¸Ð¾õºÜÂÒ£¬»¹²»Æ½»¬£¬ÊÇʲôԭÒòÄØ£¿
ÁíÍâÎÒÓÃvasp_band.exeÈí¼þ´¦ÀíµÄEIGENVALµÃµ½band.bat£¬Ã»±ðµÄ£¬µ«ÎÄÏ×ÖÐkµãÊúÖ±ÏßÊÇÔõô»­µÄ£¿Çó¸÷λ³æÓѰïæ£¬Ð»Ð»£¡

¼ÆËãµÄµ¥²ãʯīϩÄÜ´øÔõôÓëÎÄÏ׵IJ»Ò»Ñù£¬ÇóÖ¸µ¼£¡
Gr+Bd.jpg
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

wang-lf09

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
4Â¥: Originally posted by ipip135 at 2014-06-27 08:30:19
KPOINTSÓÐô£¿¹À¼ÆÓ¦¸ÃÊÇÕâ¸öµÄÎÊÌ⣬ûÓÐʹÓÃlineģʽ£¿

ʹÓõÄÊÇlineģʽ£¬kµãÉèÖÃÈçÏ£º
k-points along high symmetry lines
10
Line-mode
rec
0.5   0.0   0.0  
0.0   0.0   0.0

0.0   0.0   0.0
0.0   0.0   0.5

0.0   0.0   0.5
0.5   0.5   0.5

0.5   0.5   0.5
0.0   0.5   0.5

0.0   0.5   0.5
0.0   0.5   0.0

0.0   0.5   0.0
0.5   0.5   0.0
5Â¥2014-06-27 10:00:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 14 ¸ö»Ø´ð

wmy8802217

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
franch: ½ð±Ò+1, лл»ØÌû½»Á÷¡£¡£¡£ 2014-07-08 20:40:02
¿´¿´ÄãµÄÊäÈëÎļþ£¿
Äý¾Û̬ÀíÂÛÓë¼ÆËãÎïÀí
3Â¥2014-06-26 13:15:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ipip135

Í­³æ (³õÈëÎÄ̳)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
franch: ½ð±Ò+2, лл»ØÌû½»Á÷¡£¡£¡£ 2014-07-08 20:40:07
KPOINTSÓÐô£¿¹À¼ÆÓ¦¸ÃÊÇÕâ¸öµÄÎÊÌ⣬ûÓÐʹÓÃlineģʽ£¿
4Â¥2014-06-27 08:30:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jpchou

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
liliangfang: ½ð±Ò+1, лл½»Á÷ 2014-06-29 17:56:44
Fermi level ÒÔÉÏ
Ì«ßhµÄµØ·½~¾Í²»ÒªÌ«ÕJÕæÁË
ÄÇÊÇ unoccupied states (excited states)
NBANDS ½o¶à~Ëü¾Í•þ±ÈÝ^ƽ»¬
NABNDS ½oÉÙ~¾Í•þÏñÄã¿´µ½µÄ~¶¶„ӵĺ܅–º¦
Fermi ÒÔÉÏ 1~2 eV ƒÈµÄ¾€¿ÉÄÜ߀ÓÐ…¢¿¼ƒrÖµ
ÔÙÉÏÈ¥¾Í²»ÐÐÁË (ÐèÒªºÜ¶àºÜ¶àµÄ Bands)
6Â¥2014-06-27 16:10:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶311·ÖÇóµ÷¼Á +12 Áº¸»¹óÏÕÖÐÇó 2026-04-04 12/600 2026-04-06 22:54 by chenzhimin
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¶«Àí¹¤085601²ÄÁϹ¤³Ì303·ÖÇóµ÷¼Á +6 a1708 2026-04-06 6/300 2026-04-06 22:37 by guanxin1001
[¿¼ÑÐ] Çóµ÷¼Á +5 ÐܶþÏëÉϰ¶ 2026-04-06 5/250 2026-04-06 22:27 by chenzhimin
[¿¼ÑÐ] 332Çóµ÷¼Á +17 ССÃÏ... 2026-04-05 18/900 2026-04-06 09:51 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 315Çóµ÷¼Á +14 ÐÀϲ777 2026-04-04 15/750 2026-04-06 06:25 by houyaoxu
[¿¼ÑÐ] Çóµ÷¼Á +10 Hllºú 2026-04-04 10/500 2026-04-05 20:09 by nepu_uu
[¿¼ÑÐ] 22408 ×Ü·Ö320£¬Ò»ÆªÂÛÎĶþ×÷£¬Á½¸ö¹úÈý£¬Çóµ÷¼Á +3 Leomulufu 2026-04-04 5/250 2026-04-05 19:04 by chongya
[¿¼ÑÐ] 284Çóµ÷¼Á +7 Ðìͬѧ_001 2026-04-04 13/650 2026-04-05 17:19 by yulian1987
[¿¼ÑÐ] 085600µ÷¼Á +9 ¶«ÕÕÕÕÕÕ 2026-04-04 9/450 2026-04-05 13:44 by ujn_zhuj
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷±±Å©ÁÖÐóÄÁר˶336·ÖÇóµ÷¼Á +3 5ourr 2026-04-03 3/150 2026-04-05 10:40 by JOKER0401
[¿¼ÑÐ] ²ÄÁÏ»¯¹¤306·ÖÕÒºÏÊʵ÷¼Á +14 ²×º£ÇáÖÛe 2026-04-04 14/700 2026-04-05 09:53 by ÖìÔÆ»¢202
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ£¬³õÊԳɼ¨350Çóµ÷¼Á +9 ÑØ°¶?±´¿Ç 2026-04-04 14/700 2026-04-05 01:09 by ÑØ°¶?±´¿Ç
[¿¼ÑÐ] µ÷¼Á +9 19945159693 2026-04-03 10/500 2026-04-04 20:16 by dongzh2009
[¿¼ÑÐ] 309Çóµ÷¼Á +4 ¿ìÀÖµÄС°×¸ë 2026-04-04 5/250 2026-04-04 15:55 by cql1109
[¿¼ÑÐ] 311Çóµ÷¼Á +20 zchqwer 2026-04-01 22/1100 2026-04-03 22:09 by lglzsd
[¿¼ÑÐ] 273Çóµ÷¼Á +20 ÀîÜÆÐÂ1 2026-03-31 20/1000 2026-04-03 09:58 by linyelide
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +6 ÏàÐűػá¹ââÍòÕ 2026-03-31 7/350 2026-04-02 23:16 by JourneyLucky
[¿¼ÑÐ] 321Çóµ÷¼Á Ò»Ö¾Ô¸ Õã½­¹¤Òµ´óѧÉúÎïÒ½Ò© +5 ºÙºÙHC 2026-04-01 6/300 2026-04-02 15:23 by sophie2180
[¿¼ÑÐ] ¡¾Çóµ÷¼Á¡¿ÐÂÄÜÔ´²ÄÁϱ¾¿Æ£¬Ò»Ö¾Ô¸211£¬³õÊÔ321 +6 Çóµ÷¼ÁѧУ£¬ 2026-04-02 6/300 2026-04-02 09:41 by Çç¿Õ210210
[¿¼ÑÐ] 301Çóµ÷¼Á +8 axibli 2026-04-01 8/400 2026-04-01 09:51 by ÎҵĴ¬Îҵĺ£
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û