# Bcc Hydrogen, r_s=2.6 a.u AF
# G0W0 calculation with AFM symmetries
nsppol      1
nspden      2

ndtset      3
prtvol      1

#DATASET 1
#ground state calculation and output of the WFK file
nband1       25
nbdbuf1       5
tolwfr1       1.0d-10
istwfk1      4*1

#DATASET 2
#screening calculation without symmetries
symchi2       1
optdriver2    3
getwfk2       1
nband2       20
inclvkb2     0          
awtr2       0       # Disable time reversal symmetry in RPA 

#DATASET 3
#sigma calculation with G-N ppmodel without symmetries
optdriver3    4
gwcalctyp3    0
symsigma3     1
ppmodel3      1    #G-N
getwfk3       1
getscr3       2
nband3       20
gw_icutcoul3    3         # old deprecated value of icutcoul, only used for legacy

#k Points for GW corrections
nkptgw        3
kptgw
       1/8  1/8  1/8
       3/8  3/8  1/8
       3/8  3/8  3/8

bdgw   1  2
       1  2
       1  2

############################################################
##               COMMON PART
############################################################

fftgw 11

spinat       0  0  1
             0  0 -1

ecut         12      # energy cutoff [Ha]
ecutwfn      12
ecutsigx     8.49477515
ecuteps      4.3 
#nband       2       # number of (occ and empty) bands to be computed
enunit       2       # eigenenergies in eV

#Definition of the atom types
npsp   1
znucl  1
ntypat 1

#Definition of the atoms
natom 2
typat 1 1

#Definition of the k-point grid
occopt 1           # Semiconductor
ngkpt  4 4 4
nshiftk 1
shiftk 0.5 0.5 0.5

# number of self-consistent field steps
nstep        20
diemac       12.0
#tolvrs       1d-9

####################GEO PART##############################################
acell   3*5.2805547473289485 Bohr

rprim   1.0  0.0  0.0
        0.0  1.0  0.0
        0.0  0.0  1.0

xred    0.0  0.0  0.0
        1/2  1/2  1/2

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

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t68.out, tolnlines = 15, tolabs = 2.000e-03, tolrel = 7.423e-04, fld_options = -medium
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% authors = M. Giantomassi
#%% keywords = GW
#%% description = 
#%%   Bcc Hydrogen, r_s=2.6 a.u AF
#%%   To check a G0W0+spin calculation with AFM symmetries (same as test t63 but only spin up
#%%   wavefunctions, non-symmorphic symmetries are obviously included)
#%%<END TEST_INFO>