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tfh00

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xiaomagh

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tfh00(½ð±Ò+1,VIP+0):лл²ÎÓë 9-18 08:36
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wuli8

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tfh00(½ð±Ò+1,VIP+0):лл 9-17 08:36
ÒýÓûØÌû:
Originally posted by tfh00 at 2009-9-16 15:04:
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hlshi

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zxzj05(½ð±Ò+1,VIP+0):3Q! ½±ÀøÌÖÂÛ£¡~ 9-16 21:28
tfh00(½ð±Ò+1,VIP+0):лл 9-17 08:36
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Originally posted by tfh00 at 2009-9-16 15:04:
Çë½Ì´ó¼Ò£¬vasp5.2Ôõô½øÐÐGW¼ÆË㣿
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4Â¥2009-09-16 19:56:13
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lxbyf

Ìú³æ (³õÈëÎÄ̳)

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Originally posted by hlshi at 2009-09-16 19:56:13:
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ÈñÀûµÄË鯬

ľ³æ (ÕýʽдÊÖ)

star watcher

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Originally posted by lxbyf at 2010-04-23 15:08:39:


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lxbyf

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7Â¥2010-04-27 09:51:21
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gavinliu7390

ľ³æ (ÖøÃûдÊÖ)

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xiaohunhun(½ð±Ò+3):лл 2010-04-27 11:51
tfh00(½ð±Ò+1):лл 2010-06-03 21:47:36
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INCAR_1
#scf Si
PREC=Accurate
EDIFF=1E-5
IBRION = -1
ISMEAR=0
SIGMA=0.05
NBANDS=96

INCAR_2

#scf
PREC=Accurate
EDIFF=1E-5
IBRION = -1
ISMEAR=0
SIGMA=0.05
NBANDS=96
#
LHFCALC=.TRUE.
AEXX = 0.0
NOMEGAR = 100
LSPECTRAL = .TRUE.

INCAR_3

#scf
PREC=Accurate
EDIFF=1E-5
IBRION = -1
ISMEAR=0
SIGMA=0.05
NBANDS=96
#
LHFCALC=.TRUE.
AEXX = 1.0
NOMEGAR = 100
LSPECTRAL = .TRUE.
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8Â¥2010-04-27 10:59:33
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why520

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
Originally posted by gavinliu7390 at 2010-04-27 10:59:33:
·ÖÈý²½£º
INCAR_1
#scf Si
PREC=Accurate
EDIFF=1E-5
IBRION = -1
ISMEAR=0
SIGMA=0.05
NBANDS=96

INCAR_2

#scf
PREC=Accurate
EDIFF=1E-5
IBRION = -1
ISMEAR=0
SIGMA=0.05
NBANDS=96
#
L ...

Let me try!
9Â¥2011-03-25 13:24:07
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why520

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
Originally posted by gavinliu7390 at 2010-04-27 10:59:33:
·ÖÈý²½£º
INCAR_1
#scf Si
PREC=Accurate
EDIFF=1E-5
IBRION = -1
ISMEAR=0
SIGMA=0.05
NBANDS=96

INCAR_2

#scf
PREC=Accurate
EDIFF=1E-5
IBRION = -1
ISMEAR=0
SIGMA=0.05
NBANDS=96
#
L ...

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