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- ×¢²á: 2010-03-05
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2Â¥2010-04-29 23:01:36
zhang668
ľ³æ (ÕýʽдÊÖ)
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- Ìû×Ó: 843
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SYSTEM = dos ISTART = 1 ICHARG = 11 ENCUT = 500 GGA = PE #NELMIN = 4 #NSW = 60 #IBRION = 2 PREC = Accurate ALGO = Fast #ISIF = 3 LORBIT = 12 ISMEAR = -5 LREAL = Auto EDIFF = 1E-5 EDIFFG =-1E-2 ISPIN = 2 #MAGMOM = 24*0 1*4 1*-4 1*-4 1*4 1*-4 1*4 1*4 1*-4 1*10 1*-10 1*10 1*-10 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¥2010-04-29 23:33:45
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zhang668(½ð±Ò+1): 2010-05-08 12:20:53
zzy870720z(½ð±Ò+1):ллÌáʾ 2010-07-03 16:00:30
zhang668(½ð±Ò+1): 2010-05-08 12:20:53
zzy870720z(½ð±Ò+1):ллÌáʾ 2010-07-03 16:00:30
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4Â¥2010-05-05 17:09:54
cenwanglai
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5Â¥2010-07-03 20:21:05
fjfuzhou
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6Â¥2012-06-18 10:02:58
chuanghua304
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