# Input file for alluminium
# 1 atom in a 

# number of sets
 ndtset   2

# Type of molecules/system to be studied
 natom    1 
 ntypat   1
 typat    1 
 znucl   13   

# Primitive cell choosed and position of atoms inside it 
#acell     3*7.6079786
 acell     3*7.50
 rprim       0.0  0.5  0.5 
             0.5  0.0  0.5 
             0.5  0.5  0.0 
 xred        0.0  0.0  0.0

# Parameters for the SCF calculation    
 nsppol        2
 kptopt        1
 nband        10
 ngkpt       3*10
 nshiftk       1
 shiftk        0 0 0
 ecut          4.0
 nstep      2000
 occopt        7
 tsmear        0.0001

# Other parameters
 prtvol         1

# Parameter differen for the two runs
# Run 1: scf cycle
 prtden1      1
 iscf1        5
 toldfe1      1.0d-10


# Run 2: write output for Yambo
# istwfkall2    1
 istwfk2    47*1
 getden2       1
 iscf2        -2
 tolwfr2       1.0d-16
 kssform2      3
 symmorphi2    0
 nbandkss2    10