Dear Prof. Blaha,
Thank you for your advice, Sir. It is running fine now.
with regards,
On Sat, 14 May 2022 at 11:46, Peter Blaha
wrote:
> This is a cif file from VESTA, which is always given in P1.
>
> x cif2struct
>
> x sgroup
>
> will setup the structure as needed. You do
Dear Wien2k users,
I want to simulate the properties of a
structure which is attached herewith. It has a monoclinic lattice & I have
tried to change Beta to Gamma, b to c & y to z. However, this shifting
changes the structure totally & exhibits a different XRD pattern
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