#   HCP Sc
 acell  2*3.242 5.162 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 15
 ecut 25 
 tsmear 0.02 eV
 ixc 2
 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 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 21.0