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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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qian8505

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3Â¥2010-12-21 14:46:50
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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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2Â¥2010-12-21 12:40:35
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qian8505

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4Â¥2010-12-21 14:50:55
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qian8505

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ÒÔÏÂÊÇINCARÎļþ
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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