[Wien] same struct led to different result

[kongshi]

Dear users:

       I calculated the same structure file with different atom label, and I
get different result. I calculated the struct file with the symmetry is P1.
One I labeled part of atoms with number (1,2) the other I labeled all atoms
with number (1,2,..,34). When I initialized the case, one (part label)
suggested that it has some symmetry, but I didn't accept its advice. I
didn't change my struct file. 

       So I think these two struct file should get the same result. But the
result (such as DOS, bandstruct..) is different.

       I want to know why. Please help me, thank you ahead.

 

 

Kongshi

 

 

 

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