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- Ó¦Öú: 85 (³õÖÐÉú)
- ½ð±Ò: 4646.4
- É¢½ð: 76
- ºì»¨: 13
- Ìû×Ó: 864
- ÔÚÏß: 350.5Сʱ
- ³æºÅ: 1425488
- ×¢²á: 2011-10-02
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ

4Â¥2013-04-28 17:43:49
171713294
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- Ó¦Öú: 85 (³õÖÐÉú)
- ½ð±Ò: 4646.4
- É¢½ð: 76
- ºì»¨: 13
- Ìû×Ó: 864
- ÔÚÏß: 350.5Сʱ
- ³æºÅ: 1425488
- ×¢²á: 2011-10-02
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ

2Â¥2013-04-28 10:48:26
ÕæÇéÎÞ¼Û108
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- ºì»¨: 2
- Ìû×Ó: 296
- ÔÚÏß: 179.2Сʱ
- ³æºÅ: 1516328
- ×¢²á: 2011-11-29
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔI:½á¹¹¡¢Á¦Ñ§ºÍ
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SYSTEM = fe ENCUT = 420 ISTART = 1 ICHARG = 1 ISMEAR = 0 SIGMA = 0.01 LNONCOLLINEAR=.TRUE. ISPIN = 2 MAGMOM = 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 0 0.5 2.9 0.5 0 2.9 LREAL = .FALSE. PREC = Accurate POTIM = 0.2 IBRION = -1 ADDRGRID = .TRUE. |
3Â¥2013-04-28 15:11:00
ÕæÇéÎÞ¼Û108
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- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 1594.9
- É¢½ð: 90
- ºì»¨: 2
- Ìû×Ó: 296
- ÔÚÏß: 179.2Сʱ
- ³æºÅ: 1516328
- ×¢²á: 2011-11-29
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔI:½á¹¹¡¢Á¦Ñ§ºÍ
5Â¥2013-04-28 20:24:57













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