# Rhombohedral Bi treated as a metal ; 2 special points
# Comparison of forces without and with spin-orbit
# The value of u is not the equilibrium one.

 prtvol 10

 ndtset 9

#Datasets 1-3 : GS
 xred1  0.2309d0   2*0.231d0
       3*-0.231d0

 xred2    3*0.231d0
          3*-0.231d0
 getwfk2 -1

 xred3  0.2311d0   2*0.231d0
        3*-0.231d0
 getwfk3 -1


#Dataset 4 : RF
 nqpt4     1
 qpt4      3*0.0d0
 rfphon4   1
 getwfk4   2
 toldfe4   1.0d-7
 tolvrs4   0.0d0
 xred4     3*0.231d0
           3*-0.231d0
 kptopt4   2

#Dataset 5 : SO + RF
 nqpt5     1
 qpt5      3*0.0d0
 rfphon5   1
 getwfk5   2
 toldfe5   1.0d-7
 tolvrs5   0.0d0
 xred5     3*0.231d0
           3*-0.231d0
 kptopt5   2
 nspinor5  2
 nband5    18
 so_psp5    1

#Datasets 6-8 : GS with spin-orbit
 xred6     0.2309d0   2*0.231d0
           3*-0.231d0
 nspinor6  2
 nband6    18

 xred7     3*0.231d0
           3*-0.231d0
 getwfk7  -1
 nspinor7  2
 nband7    18


 xred8     0.2311d0   2*0.231d0
           3*-0.231d0
 getwfk8  -1
 nspinor8  2
 nband8    18

#Datasets 9 : RF with spin-orbit
 nqpt9     1
 qpt9      3*0.0d0
 rfphon9   1
 getwfk9   7
 toldfe9   1.0d-7
 tolvrs9   0.0d0
 xred9     3*0.231d0
           3*-0.231d0
 kptopt9   2
 nspinor9  2
 nband9    18

#Common data
 acell 3*9.0d0
 angdeg 3*57.25d0
 ecut  2.0d0
 kptopt 1
 natom  2
 nband  9
 ngkpt 2 2 2
 nstep 20
 ntypat  1
 occopt  4
 rfatpol   1 2
 rfdir     1 1 1
 tsmear 0.02d0
 tolvrs  1.0d-16
 typat  1 1
 znucl 83.d0
