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[交流]
【求助】下面的建议和警告该怎么解决啊？
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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 FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP |
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★
Gina88(金币+1): 2011-03-15 23:50:04
youzhizhe(金币+1): 谢谢交流。 2011-03-16 08:53:16
Gina88(金币+1): 2011-03-28 09:10:04
Gina88(金币+1): 2011-03-15 23:50:04
youzhizhe(金币+1): 谢谢交流。 2011-03-16 08:53:16
Gina88(金币+1): 2011-03-28 09:10:04
| 设置LREAL = Auto |
2楼2011-03-15 22:53:06
3楼2011-03-15 23:50:50
4楼2011-03-16 07:16:21
