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Gina88

ľ³æ (ÕýʽдÊÖ)


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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

ľ³æ (ÕýʽдÊÖ)


ÒýÓûØÌû:
Originally posted by cenwanglai at 2011-03-15 22:53:06:
ÉèÖÃLREAL = Auto

лл£¡
ÄÇÏÂÃæµÄ¾¯¸æÄØ£¬Ó¦¸ÃÔõôÏû³ýÄØ£¿
3Â¥2011-03-15 23:50:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 4 ¸ö»Ø´ð
¡ï
Gina88(½ð±Ò+1): 2011-03-15 23:50:04
youzhizhe(½ð±Ò+1): лл½»Á÷¡£ 2011-03-16 08:53:16
Gina88(½ð±Ò+1): 2011-03-28 09:10:04
ÉèÖÃLREAL = Auto
2Â¥2011-03-15 22:53:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡ï
youzhizhe(½ð±Ò+1): лл½»Á÷¡£ 2011-03-16 08:53:04
Gina88(½ð±Ò+1): 2011-03-27 17:54:53
Gina88(½ð±Ò+2): 2011-03-28 09:10:14
LREAL=Auto ¾ÍÏû³ý¾¯¸æÁË¡£

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