# Isolated H atom: HF calculation with cutoff in the Coulomb interaction and with auxiliary function technique
# The H atom is EXACT within H-F.
ndtset  3
gwpara  2
symsigma 0

# Dataset 1: WFK generation
tolwfr1       1.0d-6

# Dataset 2: Sigma calculation with "true" Coulomb interaction integrated with an auxiliary function
optdriver2   4
gwcalctyp2  25
getwfk2      1
gw_icutcoul2   6


# Dataset 3: Sigma calculation with a cutoff in Vcoul (Beigi's method)
optdriver3   4
gwcalctyp3  25
getwfk3      1
gw_icutcoul3   0            # Spherical cutoff
rcut3       -1.0

# The following GW variable are meaningful only during the sigma run.
nkptgw 1
kptgw  0.00000000E+00  0.00000000E+00  0.00000000E+00

bdgw
 1 5
 1 5
ixc_sigma 40

##################################
#Variables common to all datasets.
##################################

acell 3*15.0
rprim
       0.0 0.5 0.5
       0.5 0.0 0.5
       0.5 0.5 0.0
natom  1
ntypat 1
typat  1
xcart  0.000  0.000  0.000

znucl  1

ecut     15.0
ecutwfn  15.0
ecutsigx 15.0

#Gamma-Point calculation
kptopt       1
ngkpt        1 1 1
shiftk       0. 0. 0.
istwfk      *1
#fixed occupations
occopt       2
nsppol       2
occ          1.00  7*0.00
             0.00  7*0.00
nband       *5

nstep       50
enunit       2

 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/1h.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t09.out, tolnlines = 20, tolabs = 1.1e-3, tolrel = 1.1, fld_options =  -medium
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = F. Bruneval
#%% keywords =  GW
#%% description = 
#%%   Isolated hydrogen atom
#%%   Calculation of the HF levels with different ways to integrate the Coulomb divergence
#%%<END TEST_INFO>