# HCP Re acell 2*2.7691 4.4747 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 nsppol 2 nspinor 1 nspden 2 nband 23 ecut 25 tsmear 0.02 eV ixc 11 iscf 3 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 75.0