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[ÇóÖú] ×öÀ­ÉìµÄʱºòstreess tensorÖеÄzΪ¸ºÖµÕâÊÇÔõô»ØÊ£¬¶øÇÒ²»ÊÕÁ²

×öÀ­ÉìµÄʱºòstreess tensorÖеÄzΪ¸ºÖµÕâÊÇÔõô»ØÊ£¬¶øÇÒ²»ÊÕÁ²£¬²»ÖªµÀÊÇÉñÂíÔ­Òò¡£Ö®Ç°×öÁËÒ»¸öÆäËûµÄ½á¹¹Ò²²»ÊÕÁ²µ«ÊǵóöÁËÀ­ÉìÇúÏß¡£ÏÖÔÚÓÃͬÑùµÄ·½·¨²»ÐÐ
***************** Stress Tensor *****************
*                                               *
*          Cartesian components (GPa)           *
* --------------------------------------------- *
*             x             y             z     *
*                                               *
*  x     -0.216193      0.000000      0.000000  *
*  y      0.000000     -0.216193      0.000000  *
*  z      0.000000      0.000000     -2.622652  *
*                                               *
*  Pressure:    1.0183                          *
*                                               *
*************************************************
  
+------------+-------------+-------------+-----------------+ <-- min BFGS
|    Step    |   lambda    |   F.delta   |    enthalpy     | <-- min BFGS
+------------+-------------+-------------+-----------------+ <-- min BFGS
|  previous  |    0.000000 |    1.031005 |   -16701.960931 | <-- min BFGS
| trial step |    0.006688 |    0.562771 |   -16702.056618 | <-- min BFGS
+------------+-------------+-------------+-----------------+ <-- min BFGS
  
BFGS: finished iteration   100 with enthalpy= -1.67020566E+004 eV
  
+-----------+-----------------+-----------------+------------+-----+ <-- BFGS
| Parameter |      value      |    tolerance    |    units   | OK? | <-- BFGS
+-----------+-----------------+-----------------+------------+-----+ <-- BFGS
|  dE/ion   |   5.315933E-003 |   2.000000E-005 |         eV | No  | <-- BFGS
|  |F|max   |   5.497490E-001 |   5.000000E-002 |       eV/A | No  | <-- BFGS
|  |dR|max  |   4.295491E-002 |   2.000000E-003 |          A | No  | <-- BFGS
|   Smax    |   2.622652E+000 |   1.000000E-001 |        GPa | No  | <-- BFGS
+-----------+-----------------+-----------------+------------+-----+ <-- BFGS
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