# HCP Co acell 2*2.5016 4.0563 Angstrom rprim 0.5 -sqrt(0.75) 0 0.5 sqrt(0.75) 0 # This is to test the use of sqrt 0 0 1 nband 20 ecut 25 tsmear 0.05 eV ixc 11 iscf 5 natom 2 ntypat 1 typat 1 1 kptopt 1 shiftk 0 0 0.5 nsym 12 symrel 1 0 0 0 1 0 0 0 1 0 1 0 -1 -1 0 0 0 1 -1 -1 0 1 0 0 0 0 1 -1 0 0 1 1 0 0 0 1 0 -1 0 -1 0 0 0 0 1 1 1 0 0 -1 0 0 0 1 1 1 0 0 -1 0 0 0 -1 -1 0 0 1 1 0 0 0 -1 0 -1 0 -1 0 0 0 0 -1 -1 -1 0 1 0 0 0 0 -1 1 0 0 0 1 0 0 0 -1 0 1 0 -1 -1 0 0 0 -1 tnons 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.5 0.0 0.0 0.5 0.0 0.0 0.5 0.0 0.0 0.5 0.0 0.0 0.5 nstep 25 occopt 3 toldfe 1.0d-10 tolmxf 5.d-6 xred 1/3 2/3 0.25 2/3 1/3 0.75 znucl 27.0