²é¿´: 4561  |  »Ø¸´: 14

[½»Á÷] ¡¾ÇóÖú¡¿KPOINTSÉèÖòâÊÔ

ÎÒÃÇÔÚVASPѧϰÖÐÒ»°ãÊÇÕë¶Ôi x i x i ÕâÑùµÄ¡°¹æ·¶µÄ¡±kµã ½øÐвâÊÔ
µ«Ò»°ãÎÄÏ×Öо­³£¿´µ½ÊÇ7x7x3£¬, 7x11x8, 10x10x4 µÈÖîÈç´ËÀà¡°²»¹æ·¶¡±µÄkµãÉèÖà 
ÄÇôºÍ´ó¼Ò½»Á÷һϠKPOINTSÉèÖÃʱ¿¼ÂǵĶ¼ÓÐÄÄЩÒòËØ£¿ÕâЩÉèÖÃÇø±ðµÃµ½µÄ½á¹ûÓÖÓпÉÄÜ´æÔÚÄÄЩ²»Í¬ÄØ£¿

Ô¸Óë´ó¼Ò̽ÌÖ¡£¿ÒÇë¸ßÊÖ°ïæ¡£
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

ÆäËû

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍƼö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
»ØÌûÖ§³Ö ( ÏÔʾ֧³Ö¶È×î¸ßµÄÇ° 50 Ãû )

hedaors

½û³æ (ÕýʽдÊÖ)


¡ï ¡ï
zzy870720z(½ð±Ò+2):¹ÄÀø½»Á÷ 2011-01-04 22:35:41
youzhizhe(½ð±Ò+2):лл¡£ 2011-01-05 09:49:28
"¹æ·¶"ÊÇʲôÒâ˼£¿ÄѵÀÊÇ k1 = k2 = k3 ?
ÕâÊÇÔÚ a = b = c  Ê±²Å³ÉÁ¢µÄ

Ò»°ã k µãÊÇ°´ µ¹¿Õ¼äµÈ¾àÈ¡µã£¬Äãµ¹¸ñ× 3 ¸öʸÁ¿´óС²»Ò»Ñùʱ£¬K µã´óСµ±È»²»Ò»Ñù

ÎÒ¸öÈËÒ»°ã²âÊÔʱ£¬µ¹¿Õ¼ä¼ä¸ôΪ 2pi * 0.02 µ½ 2pi * 0.04

[ Last edited by hedaors on 2011-1-4 at 22:25 ]
2Â¥2011-01-04 22:22:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
ÆÕͨ»ØÌû
¡ï
mazuju028(½ð±Ò+1):лл½»Á÷ 2011-01-04 23:26:06
youzhizhe(½ð±Ò+1):3Q¡£ 2011-01-05 09:49:16
³ýÁËÎÄÏ×ÉϱðÈËÓÐÈ¡¹ýµÄ£¬ÎÒµÄÈ¡·¨¾ÍÊÇ°´µ¹¸ñʽ´óСÀ´»®·ÖµÄ£¬¼´Èý¸ö·½ÏòKµãÊýºÍ¾§¸ñ³£Êý³Ë»ý½üËÆÒ»Ö¡£
3Â¥2011-01-04 23:24:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Íغ£1627

½ð³æ (ÕýʽдÊÖ)


ÒýÓûØÌû:
Originally posted by hedaors at 2011-01-04 22:22:40:
"¹æ·¶"ÊÇʲôÒâ˼£¿ÄѵÀÊÇ k1 = k2 = k3 ?
ÕâÊÇÔÚ a = b = c  Ê±²Å³ÉÁ¢µÄ

Ò»°ã k µãÊÇ°´ µ¹¿Õ¼äµÈ¾àÈ¡µã£¬Äãµ¹¸ñ× 3 ¸öʸÁ¿´óС²»Ò»Ñùʱ£¬K µã´óСµ±È»²»Ò»Ñù

ÎÒ¸öÈËÒ»°ã²âÊÔʱ£¬µ¹¿Õ¼ä¼ä¸ôΪ ...

´î¸ö±ã³µÎÊһϣ¬µ±ÒªÓýű¾³ÌÐò²âÊÔ  ENCUT ºÍKʱ£¬Ô­Ê¼Îļþ¸ÃÓÐÄÇЩ£¿»¹ÊÇÊÇËĸöԭʼÎļþ+Õâ¸ö¿ÉÖ´ÐгÌÐò£¿»¹ÊÇʹÓÃvasp>&Ö´ÐУ¿Ð»Ð»£¡
4Â¥2011-01-05 09:02:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡ï ¡ï
cenwanglai(½ð±Ò+2):Ãô¶øºÃѧ£¬Ñ§¶øʵϰ֮£¬Î¹ʶøÖªÐÄ£¬ºÇºÇ 2011-01-05 10:11:40
ÒýÓûØÌû:
Originally posted by hedaors at 2011-01-04 22:22:40:
"¹æ·¶"ÊÇʲôÒâ˼£¿ÄѵÀÊÇ k1 = k2 = k3 ?
ÕâÊÇÔÚ a = b = c  Ê±²Å³ÉÁ¢µÄ

Ò»°ã k µãÊÇ°´ µ¹¿Õ¼äµÈ¾àÈ¡µã£¬Äãµ¹¸ñ× 3 ¸öʸÁ¿´óС²»Ò»Ñùʱ£¬K µã´óСµ±È»²»Ò»Ñù

ÎÒ¸öÈËÒ»°ã²âÊÔʱ£¬µ¹¿Õ¼ä¼ä¸ôΪ ...

лл½»Á÷¡£Õâ¸öÎÊÌâÖ÷ÒªÊÇÏëÈç¹ûÕë¶ÔµÄÊÇÒ»¸öмÆËãÌåϵ£¬ÄÇôkµã²ÉÓÃÎÄÏ×ÖеÄ×ö·¨²»Ì«ÏÖʵ£¬ÄÇô¾ÍÏëÈ·¶¨´ó¼Ò²ÉÓõĴóÖÂÒ»¸öʲôÑù×ӵġ°¾­Ñé·¨Ôò (ÎÊÌâÖÐÌáµ½µÄ'¹æ·¶' ) ¡±¡£
Ï£Íû¶Ô´ó¼ÒÒ²ÓÐËù°ïÖú¡£
5Â¥2011-01-05 09:54:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gloomy2004

½ð³æ (ÖøÃûдÊÖ)


¡ï
gzqdyouxia(½ð±Ò+1):ллÌáʾ 2011-01-08 10:07:07
ÒýÓûØÌû:
Originally posted by hedaors at 2011-01-04 22:22:40:
"¹æ·¶"ÊÇʲôÒâ˼£¿ÄѵÀÊÇ k1 = k2 = k3 ?
ÕâÊÇÔÚ a = b = c  Ê±²Å³ÉÁ¢µÄ

Ò»°ã k µãÊÇ°´ µ¹¿Õ¼äµÈ¾àÈ¡µã£¬Äãµ¹¸ñ× 3 ¸öʸÁ¿´óС²»Ò»Ñùʱ£¬K µã´óСµ±È»²»Ò»Ñù

ÎÒ¸öÈËÒ»°ã²âÊÔʱ£¬µ¹¿Õ¼ä¼ä¸ôΪ ...

û¿´¶®£¬ 2pi*0.02=0.1258, ÊDz»ÊÇÓÐʲô²ÎÊýûд£¿
6Â¥2011-01-08 06:33:00
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hedaors

½û³æ (ÕýʽдÊÖ)


¡ï
zhang668(½ð±Ò+1):¶àл½»Á÷ 2011-01-08 22:18:47
youzhizhe(½ð±Ò+1): лл¡£ 2011-03-04 00:48:14
ÒýÓûØÌû:
Originally posted by gloomy2004 at 2011-01-08 06:33:00:


û¿´¶®£¬ 2pi*0.02=0.1258, ÊDz»ÊÇÓÐʲô²ÎÊýûд£¿

ûʲô²ÎÊýûд£¬Õâ¸öÊǵ¹¿Õ¼ä¼ä¸ô£¬±ÈÈçÄãµÄ µ¹¸ñ×Ó ³¤¶ÈΪ 1 1 1, ÄÇôÈç¹ûÈ¡¼ä¸ôΪ 2pi*0.02, K µã¾ÍΪ 8 8 8
7Â¥2011-01-08 22:08:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gloomy2004

½ð³æ (ÖøÃûдÊÖ)


ÒýÓûØÌû:
Originally posted by hedaors at 2011-01-08 22:08:44:


ûʲô²ÎÊýûд£¬Õâ¸öÊǵ¹¿Õ¼ä¼ä¸ô£¬±ÈÈçÄãµÄ µ¹¸ñ×Ó ³¤¶ÈΪ 1 1 1, ÄÇôÈç¹ûÈ¡¼ä¸ôΪ 2pi*0.02, K µã¾ÍΪ 8 8 8

2¡°¡Á3.14¡Á0.02  ºÍ8 ÊÇÔõô·¢ÉúÁªÏµµÄÄØ£¿
±§Ç¸£¬ ±È½ÏÐÂÊÖ¡£
8Â¥2011-01-08 23:43:16
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ustbwgs

ľ³æ (ÕýʽдÊÖ)


¡ï
bingmou(½ð±Ò+1):¸Ðл²ÎÓë 2011-01-10 20:13:29
ÒýÓûØÌû:
Originally posted by youzhizhe at 2011-01-04 22:09:46:
ÎÒÃÇÔÚVASPѧϰÖÐÒ»°ãÊÇÕë¶Ôi x i x i ÕâÑùµÄ¡°¹æ·¶µÄ¡±kµã ½øÐвâÊÔ
µ«Ò»°ãÎÄÏ×Öо­³£¿´µ½ÊÇ7x7x3£¬, 7x11x8, 10x10x4 µÈÖîÈç´ËÀà¡°²»¹æ·¶¡±µÄkµãÉèÖà 
ÄÇôºÍ´ó¼Ò½»Á÷һϠKPOINTSÉèÖÃʱ¿¼ÂǵĶ¼ÓÐÄÄЩÒòËØ ...

I think there aren't any regulations about the setting of k points but doing convergence test.
9Â¥2011-01-10 20:07:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

windblue

½û³æ (ÕýʽдÊÖ)

¡ï
zhang668(½ð±Ò+1):¶àл½»Á÷ 2011-01-10 22:09:33
youzhizhe(½ð±Ò+2): лл¡£ 2011-03-04 00:47:41
±¾ÌûÄÚÈݱ»ÆÁ±Î

10Â¥2011-01-10 21:58:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
ÒýÓûØÌû:
Originally posted by windblue at 2011-01-10 21:58:03:

ÕâÑù˵»¹²»Ì«×¼È·£¬¡°Èý¸ö·½ÏòKµãÊýºÍ¾§¸ñ³£Êý³Ë»ý½üËÆÒ»Ö¡±£¬µ«Ò»°ã³Ë»ý²»Òª´óÓÚ40£¬ÓÈÆäÊÇÕë¶Ô±È½Ï´óµÄÌåϵ£¬·ñÔò»áʹµÃÓÅ»¯ËٶȱȽÏÂý£¨¸öÈ˵ÄÌåÑ飩

Ò»°ãÎÄÏ׸ø³öµÄ³Ë»ý¶¼ÊǸßÓÚ40µÄ£¬100¶¼²»Ö¹¡­¡­
11Â¥2011-01-13 22:18:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
youzhizhe(½ð±Ò+1): лл½»Á÷¡£ 2011-04-06 12:55:30
½ðÊôÇé¿öµÄ»°  kµãÃܶȻá¸ßһЩ£¬£¬
12Â¥2011-04-06 10:45:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

¿µÂ·Òª±ÏÒµ

гæ (³õÈëÎÄ̳)


¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
1793318Â¥: Originally posted by gloomy2004 at 2011-01-08 23:43:16
2¡°¡Á3.14¡Á0.02  ºÍ8 ÊÇÔõô·¢ÉúÁªÏµµÄÄØ£¿
±§Ç¸£¬ ±È½ÏÐÂÊÖ¡£...

ºÜÐÂÊÖ£¬¿´²»¶®2piºÍ8 ÊÇÔõô±äµÄ¡£ÇóÖ¸µ¼¡£Çó½â´ð¡£
13Â¥2012-11-16 12:28:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Ñô¹âµÄÓ°×Ó

гæ (СÓÐÃûÆø)


¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÎÒÒ²²»¶®£¬ÄãÏÖÔÚ¶®ÁËÂ𣿰ï°ïÎÒQQ2499409446,лл
14Â¥2013-01-16 11:10:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

alicewal

ľ³æ (СÓÐÃûÆø)


¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
¡°2¡°¡Á3.14¡Á0.02  ºÍ8 ÊÇÔõô·¢ÉúÁªÏµµÄÄØ£¿ ¡±
Ó¦¸ÃÊÇÕâô¼ÆËãµÄ£ºµ¹¸ñ³¤¶ÈΪ1£¬Ôò1/(2¡Á3.14¡Á0.02)=8
15Â¥2013-02-01 11:40:26
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌøת ÎÒÒª¶©ÔÄÂ¥Ö÷ youzhizhe µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍƼö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[½Ìʦ֮¼Ò] ÓÐÁ½¸öÊ¡¼¶È˲Åñ×ÓÌø²ÛÕÒ¹¤×÷£¬ÄѶÈÔõôÑù +4 akslis2024 2024-12-23 4/200 2024-12-23 19:35 by 2fddg@9r
[ÂÛÎÄͶ¸å] ÌôÊý¾ÝÊÇÔì¼ÙÂð +10 µç»°µÄ½¨Éè 2024-12-21 10/500 2024-12-23 18:53 by longwen8
[˶²©¼ÒÔ°] ËÄÏß³ÇÊй«°ì¸ßУÎÞ±àor¶þÏß³ÇÊÐÃñ°ì¸ßУ +14 joshhartford 2024-12-20 33/1650 2024-12-23 18:50 by joshhartford
[»ù½ðÉêÇë] ´óÂÛÎĸĸıä³ÉÏîÄ¿ÉêÇëÊé +6 wusiqi2020 2024-12-21 6/300 2024-12-23 17:28 by ÐÇÓ꺮Mos
[˶²©¼ÒÔ°] ÓÐδ¾ÍÒµµÄ²©Ê¿Â𣿠+11 ´ó·¢²ÆÊ÷ 2024-12-22 12/600 2024-12-23 17:21 by Zoeyhsyk
[¿¼²©] ÏëÕÒһλÄêÇáµÄ985²©µ¼ +6 °¬¸¥É­µÏ¶û 2024-12-21 9/450 2024-12-23 17:14 by °¬¸¥É­µÏ¶û
[½Ìʦ֮¼Ò] Èç¹ûÆÀÖ°³Æ²»ÐèÒª¹ú¼Ò×ÔÈ»»ù½ð£¬»¹»áÓÐÈËÈ¥ÉêÇëÂ𣿠+3 akslis2024 2024-12-19 3/150 2024-12-23 16:00 by syl200707
[Ö°³¡ÈËÉú] ÍøÂçÓÎÏ·ÓÐÒâÒåÂð +4 ÉñÃ÷.˹ÅÉ¿Ë. 2024-12-16 4/200 2024-12-23 15:15 by ¿ªÐľͺÃ56
[½Ìʦ֮¼Ò] ΪɶºÜ¶à¸ßУÀÏʦ²»Ô¸Òâµ±¸±Ôº³¤£¿ +12 ÒâµÃ¼­_editage 2024-12-18 16/800 2024-12-23 11:29 by jurkat.1640
[¿¼²©] É격µÄ¿ÆÑмƻ®ÊéÔõôд£¿ +6 °®ºÈ·çµÄÁú¾í²è 2024-12-19 11/550 2024-12-23 07:55 by vincent_hpax
[˶²©¼ÒÔ°] ²©Ò» +10 ÓÄƤƤƤ 2024-12-17 16/800 2024-12-22 07:37 by Ermito
[½Ìʦ֮¼Ò] ½ñÄêµÄ¿ÆÑм¨Ð§Ö»½±ÀøQ1ÁË +12 holypower 2024-12-20 17/850 2024-12-21 16:13 by willbuilder
[ÂÛÎÄͶ¸å] ÂÛÎÄУ¸å 50+5 whale_full 2024-12-17 10/500 2024-12-20 16:39 by ±±¾©À³ÒðÈóÉ«
[ÂÛÎÄͶ¸å] Transportation Research Part C Ͷ¸åÄ£°å 5+3 Yetzirah 2024-12-20 4/200 2024-12-20 16:32 by ±±¾©À³ÒðÈóÉ«
[ÂÛÎÄͶ¸å] Ͷ¸åͶ´íÆÚ¿¯£¬Ôõô³·¸å£¿ 200+4 birrd 2024-12-17 8/400 2024-12-20 14:53 by yiran909
[½Ìʦ֮¼Ò] ijÀÏʦÔÚ×é»áÉÏ×ÜÊÇÕë¶ÔÎÒ´øµÄѧÉúÔõô°ì£¿ +15 lice_1987 2024-12-17 23/1150 2024-12-20 04:50 by ÅÖÅֵĴóº£
[ÂÛÎÄͶ¸å] ÇóÍƼö5·Ö¶þÇøÒÔÉÏÖ×Áö½ÓÊÜÉúÐŽáºÏʵÑéµÄÆÚ¿¯¡£¡£¡£ +3 lice_1987 2024-12-17 6/300 2024-12-19 17:01 by Andy_124
[½Ìʦ֮¼Ò] ɾÁËŶ (EPI+-1)(½ð±Ò-50) +5 Ô­ÒòÔÚÄÄÀï 2024-12-18 6/300 2024-12-19 12:25 by keikofans
[Óлú½»Á÷] ºË´ÅÇâÆ×·ÖÎö +3 È»³æ 2024-12-16 4/200 2024-12-18 15:52 by СÈâ¸É
[ÂÛÎÄͶ¸å] É격 +3 µÔijÈË 2024-12-16 3/150 2024-12-17 09:24 by xs74101122
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û