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FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z    370.52    370.52    370.52
  Ewald    -1253.58  -1252.71  -1252.71      0.00      0.00      0.00
  Hartree    299.39    299.61    299.61      0.00      0.00      0.00
  E(xc)     -221.14   -221.14   -221.14      0.00      0.00      0.00
  Local      414.73    413.82    413.82      0.00      0.00      0.00
  n-local   -131.71   -132.04   -131.27      2.31      2.13      1.93
  augment    208.46    208.35    208.35      0.00      0.00      0.00
  Kinetic    313.27    317.31    309.10      1.36      0.61     -0.26
  -------------------------------------------------------------------------------------
  Total       -0.07      0.00      0.00      0.00      0.00      0.00
  in kB       -2.68     -0.04     -0.04      0.00      0.00      0.00
  external pressure =       -0.92 kB  Pullay stress =        0.00 kB
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¶ÔµÄ£¬ÊÇ in kB       -2.68     -0.04     -0.04      0.00      0.00      0.00

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Originally posted by sars518 at 2011-02-15 16:30:43:
¶ÔµÄ£¬ÊÇ in kB       -2.68     -0.04     -0.04      0.00      0.00      0.00

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3Â¥2011-02-15 17:11:40
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Originally posted by hiyangyue at 2011-02-15 17:11:40:


ÐÞ¸Ävasp ÖеÄconstr_cell_relax.FÎļþ¾Í¿ÉÒÔÁË

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4Â¥2011-02-15 17:43:57
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hiyangyue

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[quote]Originally posted by sars518 at 2011-02-15 16:30:43:
¶ÔµÄ£¬ÊÇ in kB       -2.68     -0.04     -0.04      0.00      0.00      0.00

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5Â¥2011-02-16 11:06:36
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zzy870720z(½ð±Ò+3): ллָ½Ì 2011-02-17 19:29:09
hiyangyue(½ð±Ò+5): ·Ç³£¸Ðл 2011-02-18 11:31:59
ÒýÓûØÌû:
Originally posted by hiyangyue at 2011-02-16 11:06:36:
[quote]Originally posted by sars518 at 2011-02-15 16:30:43:
¶ÔµÄ£¬ÊÇ in kB       -2.68     -0.04     -0.04      0.00      0.00      0.00

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