²é¿´: 6540  |  »Ø¸´: 25
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

ÇïÌìºÜÇçÌì

гæ (СÓÐÃûÆø)

[ÇóÖú] k-pointµÄÒâÒåÒÔ¼°È·¶¨ ÒÑÓÐ2È˲ÎÓë

MS²ÎÊýÉèÖÃÀïÃæµÄk-point ÊÇʲôÒâ˼£¬ÈçºÎÈ·¶¨µÄ£¿Ö®Ç°Ìý˵¾ÍÊÇÊÔ³öÀ´µÄ£¬×ܾõµÃÕâÑùû·¨½âÊÍ£¬Ëü¾ßÌåÖ¸Ê²Ã´ÄØ£¿ÔÚÓõÄʱºòÊDz»ÊÇÓÐЩÌõ¼þÄØ£¿ÇóÖ¸µãÃÔ½ò~
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

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

ÇïÌìºÜÇçÌì

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
20Â¥: Originally posted by º£·çµÄ˵ at 2015-09-22 20:14:35
ÄãÓÃ666.Ö»ÊÇ˵ÔÚb3·½ÏòÉϵÄÇиîÃܶÈÏà¶ÔÓÚb1¡¢b2·½ÏòÉϵĸü´ó£¬¼´separation¸üС¡£¾ßÌåµÄÄã¿ÉÒԲ鿴CASTEP calaulation-Electronic-k-points¡£...

²»Í¬·½ÏòÉϵÄseperationÏà²îÌ«´óµÄ»°£¬¾ßÌå»áÓÐʲôӰÏìÄØ£¿
22Â¥2015-09-29 09:30:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 26 ¸ö»Ø´ð

wmy8802217

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
liliangfang: ½ð±Ò+1, лл½»Á÷ 2015-09-18 07:57:44
ljw4010: ½ð±Ò+5, лл½»Á÷¡£ 2015-09-29 09:50:11
KµãÍø¸ñÄã¿ÉÒÔÈÏΪÊÇÒ»¸ö»ý·Ö»¯ÎªÇóºÍµÄ¹ý³Ì¡£¡£µ±È»ÄãÔÚÊýÖµ»ý·ÖµÄʱºòÍø¸ñÔ½ÃÜÔ½ºÃ¡£¡£µ«ÊÇÏÖʵÇé¿öϼÆËãÁ¿Êܲ»ÁË¡£¡£¡£ËùÒÔµÃ×ö²âÊÔ¡£²âÊÔµÄÒâÒåÔÚÓÚ²âÊÔÔÚÒ»¶¨¾«¶È£¨kµãÃܶȣ©µÄÇé¿ö϶ÔÓÚÄãËù¹ØÐĵÄÎÊÌâÊÇ·ñ¹»Óá£
Äý¾Û̬ÀíÂÛÓë¼ÆËãÎïÀí
2Â¥2015-09-16 10:17:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÇïÌìºÜÇçÌì

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by wmy8802217 at 2015-09-16 10:17:01
KµãÍø¸ñÄã¿ÉÒÔÈÏΪÊÇÒ»¸ö»ý·Ö»¯ÎªÇóºÍµÄ¹ý³Ì¡£¡£µ±È»ÄãÔÚÊýÖµ»ý·ÖµÄʱºòÍø¸ñÔ½ÃÜÔ½ºÃ¡£¡£µ«ÊÇÏÖʵÇé¿öϼÆËãÁ¿Êܲ»ÁË¡£¡£¡£ËùÒÔµÃ×ö²âÊÔ¡£²âÊÔµÄÒâÒåÔÚÓÚ²âÊÔÔÚÒ»¶¨¾«¶È£¨kµãÃܶȣ©µÄÇé¿ö϶ÔÓÚÄãËù¹ØÐĵÄÎÊÌâÊÇ·ñ¹» ...

·Ç³£¸Ðл£¬Õâ¸öÒâ˼ÊÇÔÚ¼ÆËãµÄʱºòÏ൱ÓÚÔÚÇó»ý·Ö£¬¶ø»ý·ÖÇø¼äµÄѡȡµÄ¾«Ã̶ܳȾÍÓÃk-pointÀ´±íʾÂð£¿ÄÇÑ¡µÃÔ½´ó²»¾ÍÔ½ºÃÂð£¿ÓÐλÉó¸åÈËÎÊÎÒ¡°how to guarantee the reasonability of 6*6*6 k-point for the hexagonal structure, since the c/a of this hcp structure is up to 5. ¡±ÎÒ²»ÖªµÀÔõô»Ø´ðÄØ¡£µ±Ê±ËãµÄʱºòÊÔÁ˼¸´Î·¢ÏÖ6*6*6µÄ¿ÉÒÔÊÕÁ²£¬¾ÍûÓÐÔÙȥ̽¾¿ÎªÊ²Ã´ÁË¡£c/aµÄÖµ¶Ôk-pointµÄѡȡÓÐʲôӰÏìÂ𣿿´µ½ÓÐÈË˵ÏÁ³¤·½ÏòµÄkµãҪȡµÃСһµã£¬ÒªÊÇÕâÑùµÄ»°£¬ÎÒÈ¡µÄÕâ¸ö¿ÉÒÔÂð£¿È¡´óÁ˶Խá¹û»áÓÐÓ°ÏìÂ𣿲»ºÃÒâ˼£¬Ò»ÏÂ×ÓÓÖÎÊÁËÕâôһ¶Ñ£¬Ð»Ð»~
3Â¥2015-09-16 15:32:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wmy8802217

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
liliangfang: ½ð±Ò+1, лл½»Á÷ 2015-09-18 07:57:50
ÒýÓûØÌû:
3Â¥: Originally posted by ÇïÌìºÜÇçÌì at 2015-09-16 15:32:18
·Ç³£¸Ðл£¬Õâ¸öÒâ˼ÊÇÔÚ¼ÆËãµÄʱºòÏ൱ÓÚÔÚÇó»ý·Ö£¬¶ø»ý·ÖÇø¼äµÄѡȡµÄ¾«Ã̶ܳȾÍÓÃk-pointÀ´±íʾÂð£¿ÄÇÑ¡µÃÔ½´ó²»¾ÍÔ½ºÃÂð£¿ÓÐλÉó¸åÈËÎÊÎÒ¡°how to guarantee the reasonability of 6*6*6 k-point for the hexag ...

ÄãµÃ¸æËßÎÒ´ó¸ÅÊÇʲô½á¹¹£¬a ºÍcÊǶàÉÙ
Äý¾Û̬ÀíÂÛÓë¼ÆËãÎïÀí
4Â¥2015-09-16 17:42:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ±¾ÈË¿¼085602 »¯Ñ§¹¤³Ì ר˶ +20 ²»ÖªµÀ½Ðʲô£¡ 2026-03-15 22/1100 2026-03-21 19:03 by ColorlessPI
[¿¼ÑÐ] 311Çóµ÷¼Á +3 Ó¸ҵÄСÎâ 2026-03-20 3/150 2026-03-21 17:40 by ColorlessPI
[¿¼ÑÐ] Çóµ÷¼Á +3 °×QF 2026-03-21 3/150 2026-03-21 13:12 by zhukairuo
[¿¼ÑÐ] ÄÜÔ´²ÄÁÏ»¯Ñ§¿ÎÌâ×éÕÐÊÕ˶ʿÑо¿Éú8-10Ãû +5 ÍÑÓ±¶ø³ö 2026-03-16 15/750 2026-03-21 10:16 by ÍÑÓ±¶ø³ö
[¿¼ÑÐ] һ־Ըɽ´ó07»¯Ñ§ 332·Ö ËÄÁù¼¶Òѹý ±¾¿ÆÉ½¶«Ë«·Ç Çóµ÷¼Á£¡ +3 ²»ÏëÀíÄã 2026-03-16 3/150 2026-03-21 03:59 by JourneyLucky
[¿¼ÑÐ] 070300»¯Ñ§319Çóµ÷¼Á +7 ½õÀð0909 2026-03-17 7/350 2026-03-21 03:46 by JourneyLucky
[¿¼ÑÐ] 265Çóµ÷¼Á +9 ÁºÁºÐ£Ð£ 2026-03-17 9/450 2026-03-21 02:17 by JourneyLucky
[¿¼ÑÐ] 328Çóµ÷¼Á£¬Ó¢ÓïÁù¼¶551£¬ÓпÆÑо­Àú +4 ÉúÎ﹤³Ìµ÷¼Á 2026-03-17 8/400 2026-03-21 02:12 by JourneyLucky
[¿¼ÑÐ] 324·Ö 085600²ÄÁÏ»¯¹¤Çóµ÷¼Á +4 llllkkkhh 2026-03-18 4/200 2026-03-21 01:24 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖпƼ¼´óѧ£¬080502£¬354·ÖÇóµ÷¼Á +5 ÊØºòϦÑôCF 2026-03-18 5/250 2026-03-21 01:06 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϾ©Àí¹¤´óѧ085701×ÊÔ´Óë»·¾³302·ÖÇóµ÷¼Á +4 ¿ûè÷ÎÀ¶Ó 2026-03-18 6/300 2026-03-20 23:02 by JourneyLucky
[¿¼ÑÐ] 290Çóµ÷¼Á +7 ^O^Ø¿ 2026-03-19 7/350 2026-03-20 21:43 by JourneyLucky
[¿¼ÑÐ] 0817 »¯Ñ§¹¤³Ì 299·ÖÇóµ÷¼Á ÓпÆÑо­Àú ÓжþÇøÎÄÕ +22 rare12345 2026-03-18 22/1100 2026-03-20 20:39 by zhukairuo
[¿¼ÑÐ] ¹ãÎ÷´óѧ¼ÒÇÝÒÅ´«ÓýÖÖ¿ÎÌâ×é2026Äê˶ʿÕÐÉú£¨½ÓÊÕ¼ÆËã»úרҵµ÷¼Á£© +3 123°¢±ê 2026-03-17 3/150 2026-03-20 15:58 by ·ÉÐÐçù
[¿¼ÑÐ] 085601²ÄÁϹ¤³Ìר˶Çóµ÷¼Á +10 Ľº®mio 2026-03-16 10/500 2026-03-19 15:26 by ¶¡¶¡*
[¿¼ÑÐ] Ò»Ö¾Ô¸¸£´ó288Óлú»¯Ñ§£¬Çóµ÷¼Á +3 Сľ³æ200408204 2026-03-18 3/150 2026-03-19 13:31 by houyaoxu
[¿¼ÑÐ] ÉúÎïѧ071000 329·ÖÇóµ÷¼Á +3 ÎÒ°®ÉúÎïÉúÎﰮΠ2026-03-17 3/150 2026-03-18 10:12 by macy2011
[¿¼ÑÐ] 0703»¯Ñ§336·ÖÇóµ÷¼Á +6 zbzihdhd 2026-03-15 7/350 2026-03-18 09:53 by zhukairuo
[¿¼ÑÐ] 302Çóµ÷¼Á +4 С¼Öͬѧ123 2026-03-15 8/400 2026-03-17 10:33 by С¼Öͬѧ123
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 ä¿ya_~ 2026-03-17 5/250 2026-03-17 09:25 by Winj1e
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û