Re: [Wien] (rotation+translation matrix)

This requires some advanced knowledge of group theory and special considerations of the symmetry operations lost when introducing AFM order. I recommend that you do NOT use runafm, but a regular spin-polarized scf cycle using runsp. This does not need the AFM setup and you don't need to run

[Wien] (rotation+translation matrix)

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