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running on   32 nodes
distr:  one band on    8 nodes,    4 groups
vasp.5.2.12 11Nov11 complex                                                   
  
POSCAR found type information on POSCAR  Sn S  Ge Te
POSCAR found :  4 types and      64 ions
LDA part: xc-table for Pade appr. of Perdew
WARNING: stress and forces are not correct
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
FFT: planning ...(           1 )
WAVECAR not read
È»ºó¾Í²»ÍùϽøÐÐÁË¡£¡£¡£

ÎÒµÄINCARÈçÏ£º

System=z13+3
ISTART=0
ICHARG=11

ENCUT = 500
ALGO=FAST
EDIFF=1E-04
NELM = 100
NELMIN=2
NELMDL=-5
PREC = Accurate

LREAL =Auto
AMIN=0.01  

ISMEAR = 0  
SIGMA = 0.1

LCHARG=.F.  
LWAVE=.F.
LVHAR=.T.
LVTOT=.T.

#IBRION=2   
#ISIF=4
#POTIM=0.1
#EDIFFG=-0.01
#NSW=300

NPAR=4
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Vasp

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ÒýÓûØÌû:
6Â¥: Originally posted by zuocuiping at 2019-12-02 17:20:49
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9Â¥2019-12-03 18:02:43
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OUTCARµ½ÕâÒ»²½Ö®ºó¾ÍûÓмÌÐøÍùÏÂÊä³öÁË£º
parallel 3D FFT for wavefunctions:
    minimum data exchange during FFTs selected (reduces bandwidth)
parallel 3D FFT for charge:
    minimum data exchange during FFTs selected (reduces bandwidth)


total amount of memory used by VASP on root node  1905908. kBytes
========================================================================

   base      :      30000. kBytes
   nonlr-proj:      12814. kBytes
   fftplans  :      28476. kBytes
   grid      :      55113. kBytes
   one-center:         64. kBytes
   wavefun   :    1779441. kBytes

initial charge density was supplied:
2Â¥2019-12-02 10:47:59
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3Â¥2019-12-02 10:49:33
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