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zhang668
ľ³æ (ÕýʽдÊÖ)
- 1STÇ¿Ìû: 3
- Ó¦Öú: 11 (СѧÉú)
- ¹ó±ö: 0.061
- ½ð±Ò: 1735
- É¢½ð: 1294
- ºì»¨: 11
- Ìû×Ó: 843
- ÔÚÏß: 324.9Сʱ
- ³æºÅ: 733242
- ×¢²á: 2009-03-28
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
4Â¥2010-05-14 10:19:12
zhang668
ľ³æ (ÕýʽдÊÖ)
- 1STÇ¿Ìû: 3
- Ó¦Öú: 11 (СѧÉú)
- ¹ó±ö: 0.061
- ½ð±Ò: 1735
- É¢½ð: 1294
- ºì»¨: 11
- Ìû×Ó: 843
- ÔÚÏß: 324.9Сʱ
- ³æºÅ: 733242
- ×¢²á: 2009-03-28
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
|
SYSTEM = HoMnFeO3 ISTART = 1 ICHARG = 11 ENCUT = 500 GGA = PE #NELMIN = 4 #NSW = 60 #IBRION = 2 PREC = Accurate ALGO = Fast #ISIF = 3 ISMEAR = -5 LORBIT = 12 LREAL = Auto EDIFF = 1E-5 EDIFFG =-1E-2 ISPIN = 2 MAGMOM = 12*0 1*4 1*4 1*-5 1*-5 1*10 1*-10 1*10 1*-10 LMAXMIX = 6 AMIX = 0.2 BMIX = 0.0001 AMIX_MAG = 0.8 BMIX_MAG = 0.0001 |
3Â¥2010-05-14 10:16:55
fanchen021
Ìú¸Ëľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 7 (Ó×¶ùÔ°)
- ½ð±Ò: 7994.9
- É¢½ð: 1844
- ºì»¨: 4
- Ìû×Ó: 776
- ÔÚÏß: 569Сʱ
- ³æºÅ: 773188
- ×¢²á: 2009-05-18
- רҵ: ÀíÂۺͼÆË㻯ѧ
5Â¥2010-05-14 13:41:30
zhang668
ľ³æ (ÕýʽдÊÖ)
- 1STÇ¿Ìû: 3
- Ó¦Öú: 11 (СѧÉú)
- ¹ó±ö: 0.061
- ½ð±Ò: 1735
- É¢½ð: 1294
- ºì»¨: 11
- Ìû×Ó: 843
- ÔÚÏß: 324.9Сʱ
- ³æºÅ: 733242
- ×¢²á: 2009-03-28
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
6Â¥2010-05-14 13:52:51









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