# Crystalline aluminum : perform the GW calculation
# at the bottom of the valence band
# Obtain the corresponding spectral function

#Parameters for the GW calculation

optdriver    4
gwcalctyp    2
symsigma     0
nband       30
ecutsigx    8.0

nfreqsp    200
freqspmax    2.

nkptgw       1
kptgw
             0.000000    0.000000    0.000000
bdgw
             1 1

#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


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_4.abo, tolnlines=  2, tolabs=  1.1e-03, tolrel=  3.0e-02 
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% authors = F. Bruneval
#%% keywords = GW
#%% description = 
#%%   Crystalline aluminum : perform the GW calculation
#%%   at the bottom of the valence band
#%%   Obtain the corresponding spectral function
#%%<END TEST_INFO>
