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The lattice constant(6.8306 A˚ ) of the primitive cell was calculated by using a plane-wave cutof fenergy of 400eV and a 6x6x6 Monkhorst Packset, which produced 28 symmetrized k points in the irreducible Brillouin zone of the primitivecellÕâ¾ä»°ÖеÄ28¸öKµãÊÇÔõô¼ÆËã³öÀ´µÄ£¿ÇóÖ¸µ¼¡£¡£¡£ [ Last edited by hwceng0816 on 2012-7-27 at 16:14 ] |
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hwceng0816
ľ³æ (ÖøÃûдÊÖ)
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- Ìû×Ó: 1914
- ÔÚÏß: 1123.9Сʱ
- ³æºÅ: 1529751
- ×¢²á: 2011-12-08
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔI:½á¹¹¡¢Á¦Ñ§ºÍ
5Â¥2012-07-28 11:03:52
Gina88
ľ³æ (ÕýʽдÊÖ)
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- Ìû×Ó: 395
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- ×¢²á: 2010-06-26
- רҵ: ÀíÂۺͼÆË㻯ѧ
2Â¥2012-07-28 10:32:13
Gina88
ľ³æ (ÕýʽдÊÖ)
- 1STÇ¿Ìû: 1
- Ó¦Öú: 9 (Ó×¶ùÔ°)
- ½ð±Ò: 3328.8
- É¢½ð: 124
- ºì»¨: 8
- Ìû×Ó: 395
- ÔÚÏß: 113Сʱ
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- ×¢²á: 2010-06-26
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franch: ½ð±Ò+2, лл»ØÌû½»Á÷¡£ 2012-07-28 18:15:44
franch: ½ð±Ò+2, лл»ØÌû½»Á÷¡£ 2012-07-28 18:15:44
3Â¥2012-07-28 10:35:19
hwceng0816
ľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 130 (¸ßÖÐÉú)
- ½ð±Ò: 4121
- É¢½ð: 244
- ºì»¨: 46
- Ìû×Ó: 1914
- ÔÚÏß: 1123.9Сʱ
- ³æºÅ: 1529751
- ×¢²á: 2011-12-08
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔI:½á¹¹¡¢Á¦Ñ§ºÍ
4Â¥2012-07-28 10:59:36













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