[Wien] (rotation+translation matrix)

[Jaafar Jalilian]

Dear Prof. Blaha,

I am running wien2k version 2013 on a machine of type corei7 with operating
system Ubuntu 16.04, fortran compiler 2013 and math libraries mkl.

I am going to calculate electronic properties of the UO2 crystal in
antiferromagnetic phase.

Spacegroup=225 Fm-3m

a=b=c=5.4 Ao

Atom1: U

Pos1: X=0.00 y=0.00 z=0.00

Atom2: O

Pos1: X=0.75 y=0.25 z=0.25

Pos2: X=0.25 y=0.75 z=0.75

How can I determine the rotation+ translation matrix in "x afminput" step
of calculations for UO2?



Best Regards

Jaafar Jalilian




-- 
*Sincerely Yours*

Jaafar Jalilian
*Senior Researcher*
*Young Researchers and Elite Club, Islamic Azad University, Kermanshah,
Iran.*

*https://www.researchgate.net/profile/Jaafar_Jalilian/?ev=hdr_xprf
<https://www.researchgate.net/profile/Jaafar_Jalilian/?ev=hdr_xprf>*
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