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sxjsn1

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Error reading item 'MAGMOM' from file INCAR.
Error code was IERR=0 ... . Found N=    8 data.
ÕâÊÇÎÒµÄINCARÎļþ
SYSTEM =  optimization of Ti
     LPLANE=.TRUE.
     NPAR= 4

  Elecronic minimisation
     ISTART = 0
     LREAL = .FALSE.
     PREC    = Medium   
     EDIFF   = 1e-4      
     EDIFFG  = -0.02               
     NELMIN  = 3         
     ISIF = 5
     LSORBIT=.TRUE.
     ISMEAR = 1
     SIGMA = 0.2      
     GGA = PE
     ISPIN = 2
     MAGMOM=8*2
     NBANDS = 120
     ICHARG = 2
     LORBIT = 11
     NEDOS = 501
     EMIN = -20
     EMAX = 20
»¹ÓÐÎÒµÄPOSCARÎļþ
Ti
1
15.00 0.00 0.00
0.00 15.00 0.00
0.00 0.00 16.10
8
c
0.00 0.00 0.00   
0.00 0.00 2.30
0.00 0.00 4.60
0.00 0.00 6.90
0.00 0.00 9.20
0.00 0.00 11.50
0.00 0.00 13.80
0.00 0.00 16.10
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zzy870720z(½ð±Ò+1):лл»Ø¸´ 2010-12-10 09:08:13
sxjsn1(½ð±Ò+1): 2010-12-10 11:15:21
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[ Last edited by fzx2008 on 2010-12-10 at 11:16 ]
2Â¥2010-12-10 08:56:50
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songdewang

½ð³æ (СÓÐÃûÆø)


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zzy870720z(½ð±Ò+1):лл½»Á÷ 2010-12-10 09:13:53
gzqdyouxia(½ð±Ò+1):ллÌáʾ 2010-12-10 09:14:19
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3Â¥2010-12-10 09:13:24
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fanchen021

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