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+------------+-------------+-------------+-----------------+ <-- min BFGS
|    Step    |   lambda    |   F.delta   |    enthalpy     | <-- min BFGS
+------------+-------------+-------------+-----------------+ <-- min BFGS
|  previous  |    0.000000 |    0.002407 |    -2697.766701 | <-- min BFGS
| trial step |    0.421990 |    0.002346 |    -2697.790248 | <-- min BFGS
+------------+-------------+-------------+-----------------+ <-- min BFGS

Warning in geom_xvec_to_mdl - large cell change detected
                             - consider your initial cell
Plane wave load balancing: max    372 min      0 average    195
Error basis_count_plane_waves: need to have at least 1 plane wave on each node
Plane wave load balancing: max    372 min      0 average    195
Error basis_count_plane_waves: need to have at least 1 plane wave on each node [1] MPI Abort by user Aborting program !
[1] Aborting program!
[0] MPI Abort by user Aborting program !
[0] Aborting program!

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jieweiwei

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hhy_china

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Originally posted by jieweiwei at 2008-8-15 20:13:
¶ÔÓÚ±íÃæÀ´ËµÒ»°ãÔÙ½øÐмÆËãʱ²»Ñ¡ÔñÓÅ»¯cell

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5Â¥2008-08-16 10:04:16
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