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xiaochabei0

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jpchou

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liliangfang: ½ð±Ò+1, лл½»Á÷ 2014-06-25 07:52:31
k-path ?????_
?? k ?c¡¤???N???????????????
(??? unit cell ?? lattice constant)
2Â¥2014-06-24 18:47:38
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xiaochabei0

гæ (СÓÐÃûÆø)

???????:
2?: Originally posted by jpchou at 2014-06-24 18:47:38
k-path ?????_
?? k ?c¡¤???N???????????????
(??? unit cell ?? lattice constant)

???????????????
3Â¥2014-06-24 20:12:30
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jpchou

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by xiaochabei0 at 2014-06-24 20:12:30
»¹»áÓÐÆäËûÔ­ÒòÂð...

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4Â¥2014-06-24 20:22:27
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xiaochabei0

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
4Â¥: Originally posted by jpchou at 2014-06-24 20:22:27
àÅ~Ïë²»µ½ÆäËûÔ­Òò...

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5Â¥2014-06-24 20:33:43
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xiaochabei0

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
4Â¥: Originally posted by jpchou at 2014-06-24 20:22:27
àÅ~Ïë²»µ½ÆäËûÔ­Òò...

ÊÇÕâÁ½¸öÉèÖÃÓдíÎóÂð
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6Â¥2014-06-24 20:35:43
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jpchou

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

???????:
6?: Originally posted by xiaochabei0 at 2014-06-24 20:35:43
?????????????§Õ?????

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...

?@?? quantum espresso ?

???????? k-path ???? 0,0,0 (Gamma) ?? 0,0,1/2 (K)
??D??????
??????? k-path ?? 0,0,0 (Gamma) ?? 0,0,1/6
K ?@??c~??????e??
?@????????????????? primitive cell ?
?????? supercell calculation??
7Â¥2014-06-24 21:27:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xiaochabei0

гæ (СÓÐÃûÆø)

???????:
7?: Originally posted by jpchou at 2014-06-24 21:27:34
?@?? quantum espresso ?

???????? k-path ???? 0,0,0 (Gamma) ?? 0,0,1/2 (K)
??D??????
??????? k-path ?? 0,0,0 (Gamma) ?? 0,0,1/6
K ?@??c~??????e??
?@????????????????? primitive ce ...

???????supercell calculation ????primitive cell calculation ??
8Â¥2014-06-25 08:54:42
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