[SIESTA-L] Difffer stresses from OUTPUT.fdf and FORCE_STRESS files

Mon, 21 Jun 2010 07:47:05 -0700 

Hi All,

When I do atomic relaxations of the system, the stresses from OUTPUT.fdf are
as follows:

====
siesta: Stress tensor (static) (eV/Ang**3):
siesta:     0.003011    0.000000    0.000000
siesta:     0.000000   -0.004787    0.000000
siesta:     0.000000    0.000000    0.000015
====

 while in the FORCE_STRESS file, the stresses are different as below:

====
              -1358.7346884138
          0.000032797       0.000000000       0.000000000
          0.000000000      -0.000052136       0.000000000
          0.000000000       0.000000000       0.000000158
====

Why there is such a difference?  Then, which one is more reliable?

Thanks.

Jiakang

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