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mazuju028

ľ³æ (ÕýʽдÊÖ)

[ÇóÖú] ΪʲôOUTCARÖеÄLattice vectorsºÍÎÒÔÚPOSCARÖÐÊäÈëµÄ²»Ò»ÑùÄØ£¿

ÔÚPOSCARÖÐÊÇÕâôÉèÖõģº
-------------------------
5.90210
1.979235538     0         -0.015406985
0                 1       0                     
0                 0       2.003202236
--------------------------

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  Lattice vectors:
  
A1 = ( -11.6816460688,   0.0000000000, -11.7321663509)
A2 = (   0.0000000000,  -5.9021000000,   0.0000000000)
A3 = (  11.6816460688,   0.0000000000,  23.5552662680)

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snail594

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mazuju028(½ð±Ò+1): лл½»Á÷ 2011-05-03 11:44:25
ellsaking(½ð±Ò+1): лл»ØÌû½»Á÷ 2011-05-03 12:13:30
5.90210*1.979235538,Äã¿´¿´µÈÓÚ¶àÉÙ
Inlearningwetrust
2Â¥2011-05-03 11:13:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

mazuju028

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by snail594 at 2011-05-03 11:13:06:
5.90210*1.979235538,Äã¿´¿´µÈÓÚ¶àÉÙ

µÈÓÚ11.6816460688£¬¼´Ê¹ÕâÑùÒ²¶Ô²»ÆðÀ´°¡¡£¿´µÚÒ»¸öʸÁ¿µÄµÚÈý¸ö·ÖÁ¿£¬ÒÔ¼°µÚÈý¸öʸÁ¿¡£
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3Â¥2011-05-03 11:43:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

snail594

½ð³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

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mazuju028(½ð±Ò+2): лл½»Á÷ 2011-05-04 15:18:30
youzhizhe(½ð±Ò+1): лл½»Á÷¡£ 2011-05-04 15:24:26
ÒýÓûØÌû:
Originally posted by mazuju028 at 2011-05-03 11:43:58:
µÈÓÚ11.6816460688£¬¼´Ê¹ÕâÑùÒ²¶Ô²»ÆðÀ´°¡¡£¿´µÚÒ»¸öʸÁ¿µÄµÚÈý¸ö·ÖÁ¿£¬ÒÔ¼°µÚÈý¸öʸÁ¿¡£

OUTCARlÀïÍ·µÄvectorÊÇÔ­°û, primitive cell
Inlearningwetrust
4Â¥2011-05-04 10:07:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

mazuju028

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by snail594 at 2011-05-04 10:07:34:
OUTCARlÀïÍ·µÄvectorÊÇÔ­°û, primitive cell

¿ÉÊÇÎÒ¸øµÄÊÇÒ»¸öµ¥Ð±¾§°û£¬Ëü±¾Éí¾ÍÊÇÒ»¸öÔ­°ûÁ˰¡¡£
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Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ mazuju028 µÄÖ÷Ìâ¸üÐÂ
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