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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
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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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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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sxjsn1(½ð±Ò+1): 2010-12-10 11:15:31
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sxjsn1

½ð³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by songdewang at 2010-12-10 09:13:24:
MAGMOMÉèÖõIJ»¶Ô°É£¬²Î¿¼Ò»ÏÂvaspÊÖ²á

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5Â¥2010-12-10 11:07:39
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sxjsn1

½ð³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by fzx2008 at 2010-12-10 08:56:50:
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sxjsn1

½ð³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by fanchen021 at 2010-12-10 09:30:46:
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7Â¥2010-12-10 11:16:09
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songdewang

½ð³æ (СÓÐÃûÆø)


sxjsn1(½ð±Ò+1): 2010-12-10 16:15:36
ÒýÓûØÌû:
Originally posted by sxjsn1 at 2010-12-10 11:16:09:

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sxjsn1

½ð³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by songdewang at 2010-12-10 11:43:14:

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9Â¥2010-12-10 16:15:54
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sunyang1988(½ð±Ò+1):лл½»Á÷ 2010-12-10 16:39:35
sxjsn1(½ð±Ò+1): 2010-12-10 16:51:56
ÔÚ¡°=¡±ºó¼Ó¿Õ¸ñ ÄãÔÙÊÔÊÔ  MAGMOM=  8*2
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[ Last edited by ºØÒÇ on 2010-12-10 at 23:30 ]
10Â¥2010-12-10 16:38:45
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sxjsn1

½ð³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by ºØÒÇ at 2010-12-10 16:38:45:
ÔÚ¡°=¡±ºó¼Ó¿Õ¸ñ ÄãÔÙÊÔÊÔ  MAGMOM=  8*2

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11Â¥2010-12-10 16:52:12
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Сľ³æÓÚ

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sunyang1988(½ð±Ò+1):лл½»Á÷ 2010-12-11 09:14:10
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Сľ³æÓÚ

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13Â¥2010-12-10 20:58:04
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Сľ³æÓÚ

½ð³æ (ÕýʽдÊÖ)


sxjsn1(½ð±Ò+1): 2010-12-13 16:34:37
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14Â¥2010-12-10 20:59:17
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sxjsn1

½ð³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by Сľ³æÓÚ at 2010-12-10 20:44:09:
¶ÔÕÕÒ»ÏÂÄãµÄmagmomÖиøµÄ´Å¾ØÊýºÍposcarÖÐÔ­×ÓÊýÊÇ·ñÒ»Ö£¬ºÃºÃÊýÊý

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sunyang1988(½ð±Ò+2):ллָµã 2010-12-11 09:14:30
Äãд³É °Ë¸ö2 °É ÕâÑù  2 2 2 2 2 2 2 2  ÔÙÊÔÊÔ
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[ Last edited by ºØÒÇ on 2010-12-10 at 23:32 ]
16Â¥2010-12-10 23:28:09
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sxjsn1

½ð³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by ºØÒÇ at 2010-12-10 23:28:09:
Äãд³É °Ë¸ö2 °É ÕâÑù  2 2 2 2 2 2 2 2  ÔÙÊÔÊÔ
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[ Last edited by ºØÒÇ on 2010-12-10 at 23:32 ]

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sxjsn1

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yangbs2009

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