[Pw_forum] XX and YY component in stress matrix are not same for body centred tetragonal structure

[mayank gupta]

Dear All


I am doing total energy calculation of body centered tetragonal
structure. but I am not getting the same stress along a and b
direction ( XX and YY component in stress matrix). I have given the
atomic position in angstrom. relaxed the structure but still i didn't
get the symmetry in stress.
Thanks in advance
-- 
Mayank

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