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Gina88

木虫 (正式写手)

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[交流] 【求助】下面的建议和警告该怎么解决啊？

The output (if any) follows:

running on 16 nodes
distr:  one band on 1 nodes, 16 groups
vasp.5.2.2 15Apr09 complex
POSCAR found :  2 types and 26 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 Ceperly-Alder, standard interpolation
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
FFT: planning ...(          1 )
reading WAVECAR
entering main loop
   N    E                   dE          d eps    ncg    rms       rms(c)
DAV: 1    0.624821410432E+03 0.62482E+03 -0.33936E+04  1024 0.891E+02
DAV: 2 -0.120265658945E+03 -0.74509E+03 -0.69600E+03  1200 0.213E+02
DAV: 3 -0.261028406028E+03 -0.14076E+03 -0.13417E+03 960 0.100E+02
DAV: 4 -0.266985920669E+03 -0.59575E+01 -0.59122E+01 976 0.257E+01
DAV: 5 -0.267136147833E+03 -0.15023E+00 -0.14996E+00  1136 0.400E+00 0.203E+01
DAV: 6 -0.253330384109E+03 0.13806E+02 -0.14379E+01 944 0.119E+01 0.104E+01
DAV: 7 -0.248543900662E+03 0.47865E+01 -0.14658E+01 960 0.122E+01 0.242E+00
DAV: 8 -0.248472427743E+03 0.71473E-01 -0.47866E-01  1056 0.431E+00 0.165E+00
DAV: 9 -0.248372385894E+03 0.10004E+00 -0.14964E-01 944 0.194E+00 0.342E-01
DAV:  10 -0.248357861624E+03 0.14524E-01 -0.40067E-02 992 0.705E-01 0.222E-01
DAV:  11 -0.248351522632E+03 0.63390E-02 -0.10831E-02  1008 0.319E-01 0.147E-01
DAV:  12 -0.248350159602E+03 0.13630E-02 -0.36053E-03 928 0.172E-01 0.819E-02
DAV:  13 -0.248349979062E+03 0.18054E-03 -0.33932E-03 848 0.141E-01 0.538E-02
DAV:  14 -0.248355007185E+03 -0.50281E-02 -0.12220E-03 816 0.806E-02 0.267E-02
DAV:  15 -0.248357979462E+03 -0.29723E-02 -0.24895E-04 720 0.364E-02 0.199E-02
DAV:  16 -0.248362678200E+03 -0.46987E-02 -0.63509E-04 784 0.519E-02 0.107E-02
DAV:  17 -0.248363868947E+03 -0.11907E-02 -0.69271E-05 688 0.217E-02 0.584E-03
DAV:  18 -0.248364746086E+03 -0.87714E-03 -0.62323E-05 576 0.170E-02 0.303E-03
DAV:  19 -0.248364907035E+03 -0.16095E-03 -0.13417E-05 672 0.101E-02 0.165E-03
DAV:  20 -0.248364980838E+03 -0.73803E-04 -0.49774E-06 576 0.606E-03
1 F= -.24836498E+03 E0= -.24834872E+03  d E =-.325118E-01
writing wavefunctions
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