[Wien] Pbnma and Pna2_1 SG

[Dr. K. C. Bhamu]

Dear Users,

I am doing a calculation of an orthorhombic complex perovskite. I want to
preserve my a~b<c axis in this was as many papers reported in this. But
when I initialize I turn out in a~c<b lattice parameters (in the
initialization, I see the message: warning: !!! Struct file is not
consistent with space group found. Number and name of space group: 62 (P n
m a) Warning: !!! Struct file is not consistent with space group found.

Is there any way in Wien2k so that I can keep my lattice constant a~b<c as
in cif file?
I know that both the structure are same but I want to test something.

Is it possible to do this?


regards
Bhamu
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