# HCP Co acell 2*2.5102 4.0691 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 21 ecut 25 tsmear 0.05 eV ixc 11 iscf 3 natom 2 ntypat 1 typat 1 1 kptopt 1 shiftk 0 0 0.5 nstep 35 occopt 3 toldfe 1.0d-8 xred 1/3 2/3 0.25 2/3 1/3 0.75 znucl 27.0