# Computation of the band structure 
# First, a SCF density computation, then a non-SCF band structure calculation.
ndtset 2
# Cut-off energy
ecut   25  
#Definition of the unit cell
acell     16.2630    16.2630     4.26   Angstrom   
# angles between primitive vectors of the unit cell
angdeg    90   90  120          
#Definition of the atom 
ntypat    1           # There is  1 type of atoms
znucl     6           # atomic number of the possible type(s) of atom. 
natom    32           # 
typat    32*1         # all carbon 
nsppol    2
# atomic positions
xangst    3.13155    0.00000   -1.77500
          2.89317    1.19839    1.77500
          2.89317    1.19839    0.35500
          2.21434    2.21434   -0.35500
          2.21434    2.21434   -1.77500
          1.19839    2.89317    1.77500
          1.19839    2.89317    0.35500
          0.00000    3.13155   -0.35500
          0.00000    3.13155   -1.77500
         -1.19839    2.89317    1.77500
         -1.19839    2.89317    0.35500
         -2.21434    2.21434   -0.35500
         -2.21434    2.21434   -1.77500
         -2.89317    1.19839    1.77500
         -2.89317    1.19839    0.35500
         -3.13155    0.00000   -0.35500
         -3.13155    0.00000   -1.77500
         -2.89317   -1.19839    1.77500
         -2.89317   -1.19839    0.35500
         -2.21434   -2.21434   -0.35500
         -2.21434   -2.21434   -1.77500
         -1.19839   -2.89317    1.77500
         -1.19839   -2.89317    0.35500
          0.00000   -3.13155   -0.35500
          0.00000   -3.13155   -1.77500
          1.19839   -2.89317    1.77500
          1.19839   -2.89317    0.35500
          2.21434   -2.21434   -0.35500
          2.21434   -2.21434   -1.77500
          2.89317   -1.19839    1.77500
          2.89317   -1.19839    0.35500
          3.13155    0.00000   -0.35500
#definition of symmetries
nsym      0
symmorphi 0
#DATASET 1: SCF-RUN
nstep1  100               # Maximal number of SCF cycles
toldfe1   1.0d-10         # Will stop when, twice in a row, the difference
diemac1   1.4             # It is worth to precondition the SCF cycle.
occopt1   1
#k-point grid
kptopt1   1
nshiftk1  1
shiftk1   0.0  0.0  0.5   #shift for hexagonal lattice
ngkpt1    1    1   10     # Monkhorst-Pack grid
prtden1   1               # Print the density, for use by dataset 2
#DATASET 2: WFK GENERATION
iscf2       -2               # Non self-consistent calculation
getden2      1               # Read previous density file
tolwfr2      1.0d-10         # Still get it converged
nstep2     300
nband2     110
nbandkss2  110
kssform2     3
nbdbuf2     10
#k-point grid 
kptopt2     1          
ngkpt2      1  1  64           # Monkhorst-Pack grid 
nshiftk2    1
shiftk2     0.0  0.0  0.5   # shift for hexagonal lattice
istwfk2  32*1