ABINIT Discussion Forums

Hi,
upon running a face-centered orthorhombic structure, I get a program crash if I input the kpt lattice using
kptrlatt -5 5 6 3 3 6 -2 8 0

but the program runs fine if I use instead kptrlen 60, which generates in the output file the above kptrlatt. This looks like a bug--
any suggestions as to what is going on?

Joe

My error, I had misunderstood the default input of shiftk, for the grid I was trying to use for kptrlatt it was necessary to set shiftk to 3*0.0, rather than its default of 3*1/2.