[SIESTA-L] Voigt notation in total stress tensor

[Konstantin Rushchanskii]

Dear users,

I have found that the components of the stress tensor are written in the 
file Siesta.F in the order 11, 22, 33, 12, 23, 13, but not in the order 
11, 22, 33, 23, 13, 12 (as in the Voigt definition).

Why?

Regards,
Konstantin


    subroutine siesta_write_stress_pressure()
! Stress tensor and pressure:
    if (.not.final) then
!
!           Write Voigt components of total stress tensor
!
          write(6,'(/,a,6f12.2))')
   .           'Stress-tensor-Voigt (kbar):',
   .           (tstress(jx,jx)/kbar,jx=1,3),
   $            tstress(1,2)/kbar,
   $            tstress(2,3)/kbar,
   $            tstress(1,3)/kbar