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SYSTEM=MAKXUS-CRYSTAL
ENCUT=400
ISTART=0;ICHARG=2
EDIFF=0.01;EDIFFG=-0.3
#GGA=PE;VOSKOWN=1!(EX FUNCTION)
PREC=Accurate
#ISPIN=2
ISMEAR=-5
#;SIGMA=0.2!(DOS=-5,BAND=0)
LREAL=AUTO;IALGO=48
NSW=100;IBRION=2;ISIF=2
#LORBIT=11;RWIGS=

#NBANDS=?(BAND STUCTURE)
   
#NSW=60;IBRION=5;NFREE=2;POTIM=0.005!(Freq)
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vasp.4.6.28 25Jul05 complex
POSCAR found :  5 types and   92 ions
LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ...          16
reading WAVECAR
entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
RMM:   1     0.457607845383E+04    0.45761E+04   -0.14304E+05  6669   0.111E+03
RMM:   2     0.141410925763E+04   -0.31620E+04   -0.40686E+04  6669   0.313E+02
RMM:   3     0.106984143053E+03   -0.13071E+04   -0.14647E+04  6669   0.199E+02
RMM:   4    -0.350068053850E+03   -0.45705E+03   -0.45069E+03  6669   0.161E+02
RMM:   5    -0.529845862522E+03   -0.17978E+03   -0.13845E+03  6669   0.927E+01
RMM:   6    -0.594816965220E+03   -0.64971E+02   -0.47587E+02  6669   0.734E+01
RMM:   7    -0.625096069873E+03   -0.30279E+02   -0.23504E+02  6669   0.377E+01
RMM:   8    -0.638126707492E+03   -0.13031E+02   -0.92435E+01  6669   0.334E+01
RMM:   9    -0.651314270335E+03   -0.13188E+02   -0.11581E+02 18889   0.160E+01
RMM:  10    -0.652155507676E+03   -0.84124E+00   -0.80296E+00 17092   0.280E+00
RMM:  11    -0.652376124155E+03   -0.22062E+00   -0.15340E+00 12364   0.101E+00
RMM:  12    -0.652409163161E+03   -0.33039E-01   -0.30327E-01  9804   0.475E-01    0.833E+01
RMM:  13    -0.803751613690E+03   -0.15134E+03   -0.15536E+03 18253   0.832E+01    0.577E+01
RMM:  14    -0.636190294339E+03    0.16756E+03   -0.26571E+02 13413   0.301E+01    0.341E+01
RMM:  15    -0.597116211420E+03    0.39074E+02   -0.29988E+02 14574   0.235E+01    0.486E+01
RMM:  16    -0.584882735735E+03    0.12233E+02   -0.14395E+01 13729   0.789E+00    0.675E+00
RMM:  17    -0.583352343181E+03    0.15304E+01   -0.29749E+00 15161   0.262E+00    0.635E+00
RMM:  18    -0.581960799223E+03    0.13915E+01   -0.51541E+00 13685   0.509E+00    0.140E+00
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405963512

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Originally posted by wuchenwf at 2009-11-29 23:18:
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405963512(½ð±Ò+1,VIP+0): 11-29 23:12
qasd(½ð±Ò+1,VIP+0):xiexie~ 11-30 20:14
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