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qian8505

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[½»Á÷] ¡¾ÇóÖú¡¿vasp´íÎó£¬ÇóÖú

running on   12 nodes
distr:  one band on    1 nodes,   12 groups
vasp.5.2.2 15Apr09 complex
POSCAR found :  3 types and  130 ions

-----------------------------------------------------------------------------
|                                                                             |
|  ADVICE TO THIS USER RUNNING 'VASP/VAMP'   (HEAR YOUR MASTER'S VOICE ...):  |
|                                                                             |
|      You have a (more or less) 'large supercell' and for larger cells       |
|      it might be more efficient to use real space projection operators      |
|      So try LREAL= Auto  in the INCAR   file.                               |
|      Mind: If you want to do a very accurate calculations keep the          |
|      reciprocal projection scheme          (i.e. LREAL=.FALSE.)             |
|                                                                             |
-----------------------------------------------------------------------------

LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ...(           3 )
reading WAVECAR
entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
rank 11 in job 1  node03_42507   caused collective abort of all ranks
  exit status of rank 11: killed by signal 11
rank 8 in job 1  node03_42507   caused collective abort of all ranks
  exit status of rank 8: killed by signal 11
rank 5 in job 1  node03_42507   caused collective abort of all ranks
  exit status of rank 5: killed by signal 11
rank 2 in job 1  node03_42507   caused collective abort of all ranks
  exit status of rank 2: killed by signal 11



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bingmou(½ð±Ò+1):¸ÐлÌáʾ 2010-12-21 14:22:15
qian8505(½ð±Ò+1): 2010-12-21 14:47:10
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qian8505

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3Â¥2010-12-21 14:46:50
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qian8505

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SYSTEM = liCoSb
ENCUT = 320
ISMEAR = 1; SIGMA = 0.02
NSW = 100
IBRION = 2
ISIF = 3
EDIFF = 1E-4
PREC = Accurate
ISTART = 0 ; ICHARG=2
LWAVE   = .FALSE.
LCHARG  = .FALSE.
NSIM=6
NPAR=1
PSTRESS = 40
5Â¥2010-12-21 14:51:45
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ellsaking(½ð±Ò+1):¸Ðл»ØÌû½»Á÷~ 2010-12-21 15:56:28
ellsaking(½ð±Ò+1):¸Ðл»ØÌû½»Á÷~ 2010-12-21 15:56:37
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gzqdyouxia(½ð±Ò+1):ллÌáʾ 2010-12-21 16:02:17
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[ Last edited by cenwanglai on 2010-12-21 at 15:27 ]
7Â¥2010-12-21 15:18:51
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qian8505

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ellsaking(½ð±Ò+1):¸Ðлָµ¼~ 2010-12-21 15:56:17
ÒýÓûØÌû:
Originally posted by cenwanglai at 2010-12-21 15:18:51:
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qian8505

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ÒýÓûØÌû:
Originally posted by cenwanglai at 2010-12-21 15:16:31:
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huangguiyang

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zzy870720z(½ð±Ò+1):ллÌáʾ 2010-12-22 07:58:41
qian8505(½ð±Ò+1): 2010-12-22 09:27:38
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qian8505(½ð±Ò+1): 2010-12-22 09:27:57
qian8505(½ð±Ò+1): 2010-12-22 09:28:44
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qian8505

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Originally posted by fzx2008 at 2010-12-22 08:25:50:
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ustbwgs

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ÒýÓûØÌû:
Originally posted by cenwanglai at 2010-12-21 15:16:31:
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zzy870720z(½ð±Ò+2):лл½»Á÷ 2010-12-22 12:00:58
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Originally posted by ustbwgs at 2010-12-22 10:14:01:

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zhang668(½ð±Ò+2):¶àлָ½Ì 2010-12-23 18:58:38
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zhang668

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zzy870720z(½ð±Ò+1):лл½»Á÷ 2010-12-23 19:56:21
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qian8505

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Â¥: Originally posted by 04nylxb at 2012-01-08 12:51:07:
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sunyang1988(½ð±Ò+1): лл½»Á÷ 2012-01-13 18:47:53
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