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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£¿£¿£¿
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citrine

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¡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
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4Â¥2010-05-01 23:16:59
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cenwanglai

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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¡£
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3Â¥2010-05-01 19:05:44
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mingyan988

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by citrine at 2010-05-01 23:16:59:
ÓÃgammaģʽÊÔÊÔ¿´
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