ndtset 1
#prtgeo 1

#optcell 0
#relaxation
#ionmov  2
ionmov 0
#BFGS scheme

#ntime  10
#dilatmx 1.20
#ecutsm  0.5

#Definition of the k-point grids
kptopt 1          # Option for the automatic generation of k points, taking
                  # into account the symmetry
#nshiftk 1
#shiftk  0.5 0.5 0.5

#


#ngkpt1  3  3  6
#ngkpt2  4  4  6
#ngkpt3  4  4  7
ngkpt1  5  5  7  

#ngfft  30 30 20
#intxc 1

getwfk -1         # This is to speed up the calculation, by restarting
                  # from previous wavefunctions, transferred from the old 
                  # to the new k-points.

ecut  25           # Maximal kinetic energy cut-off

#Definition of the SCF procedure
nstep  20          # Maximal number of SCF cycles
toldfe 1.0d-6     # Will stop when, twice in a row, the difference 
                  # between two consecutive evaluations of total energy 
                  # differ by less than toldfe (in Hartree) 
diemac 1.0d0

ntypat 1          # There is only one type of atom
znucl  6          # Carbon
#Definition of the unit cell

acell     6.1370000000    6.1370000000    4.1770000000 angstrom
angdeg   90.0000000000   90.0000000000  106.0000000000
                       
#Definition of the atoms
natom 20          # There are two atoms
typat 20*1        # They both are of type 1, that is, Silicon.
xangst            # This keyword indicate that the location of the atoms
                  # will follow, one triplet of number for each atom
  1.58119     1.14880     2.12700
  0.60396     1.85880     1.41800
  0.60396     1.85880     0.00000
 -0.60396     1.85880    -0.70900
 -0.60396     1.85880     2.12700
 -1.58119     1.14880     1.41800
 -1.58119     1.14880     0.00000
 -1.95446     0.00000    -0.70900
 -1.95446     0.00000     2.12700
 -1.58119    -1.14880     1.41800
 -1.58119    -1.14880     0.00000
 -0.60396    -1.85880    -0.70900
 -0.60396    -1.85880     2.12700
  0.60396    -1.85880     1.41800
  0.60396    -1.85880     0.00000
  1.58119    -1.14880    -0.70900
  1.58119    -1.14880     2.12700
  1.95446    -0.00000     1.41800
  1.95446    -0.00000     0.00000
  1.58119     1.14880    -0.70900