Hi, I am trying to use LatticeConstant 1. Ang LatticeParameters 4.6927 3.4283 5.137 90. 99.546 90. AtomicCoordinatesFormat Fractional
but in the output I see
outcell: Unit cell vectors (Ang):
1.000000 0.000000 0.000000
0.000000 1.000000 0.000000
0.000000 0.000000 1.000000
outcell: Cell vector modules (Ang) : 1.000000 1.000000 1.000000
outcell: Cell angles (23,13,12) (deg): 90.0000 90.0000 90.0000
What am I doing wrong?
Thanks.
Alex.
