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

#Parameters for the GW calculation
optdriver    4
nband       30
ecutsigx    8.0

gwcalctyp   12
symsigma     0

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
ngkpt         4 4 4
nshiftk       1     
shiftk        0.  0.  0. 
istwfk        *1

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

prtvol     5
enunit     1

 pp_dirpath "$ABI_PSPDIR"
 pseudos "Pseudodojo_nc_sr_04_pbe_standard_psp8/Al.psp8"

##############################################################
# This section is used only for regression testing of ABINIT #
##############################################################
#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% test_chain = tgw2_1.abi, tgw2_2.abi, tgw2_3.abi, tgw2_4.abi
#%% [files]
#%% files_to_test = 
#%%   tgw2_3.abo, tolnlines=  5, tolabs=0.002, tolrel=  3.000e-02 
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% authors = F. Bruneval
#%% keywords = GW
#%% description = 
#%%   Crystalline aluminum: 
#%%   calculation of the quasi-particle Fermi energy
#%%<END TEST_INFO>
