# HCP Os acell 2*2.7491 4.3342 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 60 ecut 25 tsmear 0.2 eV ixc 11 iscf 5 natom 2 ntypat 1 typat 1 1 kptopt 1 shiftk 0 0 0.5 nstep 20 occopt 3 toldfe 1.0d-10 tolmxf 5.d-6 xred 1/3 2/3 0.25 2/3 1/3 0.75 znucl 76.0