# Crystalline aluminum : 
# calculation of the quasi-particle Fermi energy

#Parameters for the GW calculation
optdriver    4
nband       30
ecutsigx    6.5
ecutwfn     6.5

gwcalctyp   12

nkptgw       8
kptgw
      0.000000    0.000000    0.000000
      0.250000    0.000000    0.000000
      0.500000    0.000000    0.000000
      0.250000    0.250000    0.000000
      0.500000    0.250000    0.000000
     -0.250000    0.250000    0.000000
      0.500000    0.500000    0.000000
     -0.250000    0.500000    0.250000
bdgw
             1 1
             2 2
             1 2
             1 1
             1 3
             1 3
             1 5
             1 4

#Definition of occupation numbers
occopt 3
tsmear 0.05

#Definition of the unit cell
acell 3*7.652 

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

#Definition of the atom types
ntypat 1       
znucl 13      

#Definition of the atoms
natom 1  
typat 1  
xred  0.0  0.0  0.0  

#Definition of the planewave basis set
ecut  8.0

#Definition of the k-point grid
kptopt        1        
ngkpt         4 4 4
nshiftk       1     
shiftk        0.  0.  0. 
istwfk        8*1

#Definition of the SCF procedure
nstep 50          
toldfe 1.0d-8     

prtvol     5
enunit     1


