# Crystalline silicon
ndtset 3
nsppol 2    spinmagntarget 0.0d0   # Try spin-polarized calculation
gwpara  2

ecut 6         
ecutwfn 6
ecuteps   2.1
pawecutdg 24

istwfk *1
#gw_icutcoul 0      # Spherical cutoff
#rcut 0.0        # the cutoff is automatically calculated so to enclose 
#                # the same volume inside the cutoff as the volume of the solid. 

# Definition of the k-point grid
kptopt 1          # Option for the automatic generation of k points,
ngkpt  2 2 2
nshiftk 4
shiftk  0.5 0.5 0.5  # These shifts will be the same for all grids
        0.5 0.0 0.0
        0.0 0.5 0.0
        0.0 0.0 0.5

# Definition of the SCF procedure
tolvrs1  1.0d-8
nband1   6

# Dataset2: definition of parameters for the calculation of the WFK file
iscf2    -2 
getden2  -1
tolwfr2  1.0d-12  
nband2    12

# Dataset 3 BSE equation with direct diagonalization (only resonant + W + v)
optdriver3 99
getwfk3  2

inclvkb3           2
pawoptosc3         1      # Arnaud Alouani expression. 
bs_algorithm3      1      # Direct diago
bs_nstates3        0      # Full diagonalization.
bs_exchange_term3  1      # Include local fields
bs_coulomb_term3   21     # Use model W and full W_GG.
mdf_epsinf3        12.0
#bs_coulomb_term3  00     # Exclude W
bs_calctype3       1      # Use KS energies and orbitals to construct L0
mbpt_sciss3          0.8 eV

bs_loband3         2  2
nband3             8
bs_freq_mesh3      0 10.0 0.1 eV
bs_coupling3       0

# Dataset 6 BSE equation with Haydock (only resonant + W + v)
#optdriver5 99
#getwfk5  2
#
#inclvkb5  2
#
#bs_algorithm5      1      # Diago
#bs_nstates5        0      # Full diagonalization.
#bs_exchange_term5  1
##bs_coulomb_term5   11    # Use full W_GG read from the SCR file.
##bs_calctype5       1     # Use KS energies and orbitals to construct L0
#bs_coulomb_term5   21     # Use model W and full W_GG.
#mdf_epsinf5         12.0
#mbpt_sciss5          0.8 eV
#bs_coupling5       0
#
#bs_loband5         2 
#nband5             8
#bs_freq_mesh5      0 10.0 0.1 eV

# Definition of the unit cell: fcc
acell 3*10.217       
rprim  0.0  0.5  0.5 
       0.5  0.0  0.5
       0.5  0.5  0.0

# Definition of the atom types
ntypat 1 
znucl 14 

# Definition of the atoms
natom 2   
typat 1 1 
xred      
   0.0  0.0  0.0
   0.25 0.25 0.25


 pp_dirpath "$ABI_PSPDIR"
 pseudos "si_ps.736.pbe"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%  t29.out,               tolnlines = 20 , tolabs = 1.1e-2, tolrel = 4.0e-2, fld_options =  -ridiculous;
#%%  t29o_DS3_EXC_MDF    ,  tolnlines = 800, tolabs = 1.1e-2, tolrel = 4.0e-2, fld_options =  -ridiculous;
#%%  t29o_DS3_GW_NLF_MDF ,  tolnlines = 800, tolabs = 1.1e-2, tolrel = 4.0e-2, fld_options =  -ridiculous;
#%%  t29o_DS3_RPA_NLF_MDF,  tolnlines = 800, tolabs = 1.1e-2, tolrel = 4.0e-2, fld_options =  -ridiculous
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% authors = M. Giantomassi
#%% keywords = PAW, GW, BSE
#%% description = 
#%%   Silicon: Solution of the Bethe-Salpeter equation (BSE) with PAW and nsppol = 2.
#%%   Use model dielectric function computed from AE PAW density (denfgr.F90).
#%% topics = BSE
#%%<END TEST_INFO>