#Compute Si crystal : ground-state with few bands,
#then large number of bands, then ddk for different directions
#

 ndtset 3

#First dataset : SC run with 2 kpoints
 prtden1 1     getden1 0   getwfk1 0
 nband1  6  


#Second dataset : NSC run with many kpoints, lots of bands
 iscf2 -2  getwfk2 1   getden2 1
 kptopt2 2 kptrlen2 40.

# ddk response function
   kptopt3 2  kptrlen3 40.
   iscf3 -3
   nqpt3  1
    qpt3  0.0d0 0.0d0 0.0d0
  rfdir3  1 1 1
 rfelfd3  2
 getwfk3  2

#Common data
# nshiftk 4
# shiftk  0.5 0.5 0.5
#         0.5 0.0 0.0
#         0.0 0.5 0.0
#         0.0 0.0 0.5
# ngkpt 8 8 8
 kptopt 1     

 acell   3*10.217
 diemac 12.0
 ecut 8.00
 iscf 3
 ixc 3
 natom  2 nband 70  nbdbuf 0
 nstep 100
 ntypat  1
rprim  0.0  0.5  0.5   # FCC primitive vectors (to be scaled by acell)
       0.5  0.0  0.5
       0.5  0.5  0.0
xred              # This keyword indicate that the location of the atoms
                  # will follow, one triplet of number for each atom
   0.0  0.0  0.0  # Triplet giving the REDUCED coordinate of atom 1.
   1/4  1/4  1/4  # Triplet giving the REDUCED coordinate of atom 2.
 tnons 72*0.0
 typat  1 1  tolwfr  1.e-22
 znucl  14