Znn3bq.jpeg
²é¿´: 1862  |  »Ø¸´: 11
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

mingyan988

½ð³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾×ªÌû¡¿KPOINTS ÒÑÓÐ7È˲ÎÓë

VERY BAD NEWS! internal error in subroutine IBZKPT:
Reciprocal lattice and k-lattice belong to different class of lattices.      40
Çë½Ìһϣ¬ÎÒµÄKPOINTSÊÇÉèÖóÉ6*6*1,ÔËÐÐVASP³öÏÖÉÏÊö½á¹û£¬Ôõô ÐÞ¸ÄKPOINTSÎļþ£¿£¿£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

citrine

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡ï
mingyan988(½ð±Ò+1): 2010-05-02 07:53
gavinliu7390(½ð±Ò+1):лл½»Á÷£¡ 2010-05-02 20:06
mingyan988(½ð±Ò+1): 2010-05-03 14:59
ÓÃgammaģʽÊÔÊÔ¿´
Automatic
0
G
6    6    1
0    0    0
4Â¥2010-05-01 23:16:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 12 ¸ö»Ø´ð

cenwanglai

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

ÀϺÍɽâ«ËöÅɾŶÎ

ÓÅÐã°æÖ÷

¡ï
mingyan988(½ð±Ò+1): 2010-05-02 10:54
gavinliu7390(½ð±Ò+1):лл½»Á÷£¡ 2010-05-02 20:05
mingyan988(½ð±Ò+1): 2010-05-03 14:59
ÒýÓûØÌû:
Originally posted by mingyan988 at 2010-05-01 15:33:50:
VERY BAD NEWS! internal error in subroutine IBZKPT:
Reciprocal lattice and k-lattice belong to different class of lattices.      40
Çë½Ìһϣ¬ÎÒµÄKPOINTSÊÇÉèÖóÉ6*6*1,ÔËÐÐVASP³öÏÖÉÏÊö½á¹û£¬Ôõô  ...

¸Ä³É5*5*1»òÕß7*7*1.

Ϊʲô²»È«²¿Ìù³öKPOINTS?
µ¹¿Õ¼äºÍK¿Õ¼ä²»ÊôÓÚͬһ¸ö¸ñ×Ó,Ϊʲô³öÏÖÕâ¸öÎÊÌâÎÒÒ²²»Àí½â.¹À¼Æ¸öKµãµÄ¶Ô³ÆÐÔÓйØ.

[ Last edited by cenwanglai on 2010-5-1 at 16:30 ]
2Â¥2010-05-01 16:27:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

mingyan988

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by cenwanglai at 2010-05-01 16:27:28:

¸Ä³É5*5*1»òÕß7*7*1.

Ϊʲô²»È«²¿Ìù³öKPOINTS?
µ¹¿Õ¼äºÍK¿Õ¼ä²»ÊôÓÚͬһ¸ö¸ñ×Ó,Ϊʲô³öÏÖÕâ¸öÎÊÌâÎÒÒ²²»Àí½â.¹À¼Æ¸öKµãµÄ¶Ô³ÆÐÔÓйØ.

[ Last edited by cenwanglai on 2010-5-1 at 16:30 ]

Ò»ÑùµÄ½á¹û¡£
Automatic
0
Monkhorst-Pack
6    6    1
0    0    0
ËêÔÂÇá¿ñ
3Â¥2010-05-01 19:05:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

mingyan988

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by citrine at 2010-05-01 23:16:59:
ÓÃgammaģʽÊÔÊÔ¿´
Automatic
0
G
6    6    1
0    0    0

¿ì±ÀÀ£ÁË£¬the same results£¿
ËêÔÂÇá¿ñ
5Â¥2010-05-02 07:53:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ¿¼Ñе÷¼Á-²ÄÁÏÀà-284 +28 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-08 28/1400 2026-04-09 20:08 by µ¹Êý321?
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖÐũ΢ÉúÎ288·Ö£¬ÈýÄêʵÑé¾­Àú +8 ´úfish 2026-04-09 8/400 2026-04-09 18:58 by mfyue2000
[¿¼ÑÐ] 297Çóµ÷¼Á +25 GENJIOW 2026-04-07 28/1400 2026-04-09 18:47 by laoshidan
[¿¼ÑÐ] µ÷¼Á +12 JLLLLLLLLLL 2026-04-03 12/600 2026-04-09 16:14 by angeltong
[¿¼ÑÐ] 0703»¯Ñ§ +31 ÄÝÄÝninicgb 2026-04-04 34/1700 2026-04-09 14:58 by onlyÖÜ
[¿¼ÑÐ] Çóµ÷¼Á +13 Æâluck 2026-04-07 13/650 2026-04-08 22:46 by Öí»á·É
[¿¼ÑÐ] Çóµ÷¼Á +9 ÔÂ@163.com 2026-04-07 11/550 2026-04-08 14:48 by qlm5820
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉúÎïÓëÒ½Ò©£¬296·Ö£¬Çóµ÷¼Á +14 66¹ 2026-04-03 16/800 2026-04-08 10:38 by tjzhao
[¿¼²©] É격 +8 IQwQl 2026-04-04 8/400 2026-04-08 09:43 by 0608104024
[¿¼ÑÐ] 22408 һ־Ը˫һÁ÷È˹¤ÖÇÄÜ300·Ö ËÄÁù¼¶£¬Êý¾Ý·ÖÎö¹ú½± +4 zzfeng123 2026-04-06 6/300 2026-04-07 21:02 by zzfeng123
[¿¼ÑÐ] ÉúÎïÓëÒ½Ò©Çóµ÷¼Á +7 heguanhua 2026-04-05 8/400 2026-04-06 18:41 by macy2011
[¿¼ÑÐ] £¨µ÷¼Á£©Ò»Ö¾Ô¸±¨¿¼¹þ¶û±õ¹¤Òµ´óѧ0857×ÊÔ´Óë»·¾³×¨Òµ378·Ö¿¼Éú +7 ºÝºÝ¼ÓÓÍ 2026-04-05 8/400 2026-04-06 16:52 by momoð©
[¿¼ÑÐ] ÇóÖú +3 ¿¨¿¨¶«88 2026-04-06 4/200 2026-04-06 15:28 by going home
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +8 ÏàÐűػá¹ââÍòÕ 2026-04-05 10/500 2026-04-05 12:19 by Hdyxbekcb
[¿¼ÑÐ] Çóµ÷¼Á +4 êɹ¦? 2026-04-03 4/200 2026-04-04 21:58 by hemengdong
[¿¼ÑÐ] 282µç×ÓÐÅÏ¢0854ר˶µ÷¼Á +4 202451007219 2026-04-02 6/300 2026-04-04 21:55 by laoshidan
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª±±µçÁ¦´óѧ£¨±±¾©£©£¬²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶265£¬Çóµ÷¼Á +11 yelck 2026-04-03 12/600 2026-04-04 19:52 by dongzh2009
[¿¼ÑÐ] 321Çóµ÷¼Á +13 ÈÏÕæÇóÉÏѧ 2026-04-02 13/650 2026-04-04 18:23 by macy2011
[¿¼ÑÐ] Ò»Ö¾Ô¸±±½»´ó²ÄÁϹ¤³Ì×Ü·Ö358 +6 cs0106 2026-04-03 6/300 2026-04-04 11:20 by w_xuqing
[¿¼ÑÐ] 338Çóµ÷¼Á +7 êɹ¦? 2026-04-03 7/350 2026-04-03 16:46 by wxiongid
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û