# ZPR computation at the Gamma point for MgO.

 nband 30
 ecut 35.0

 ngkpt 4 4 4
 nshiftk 1
 shiftk 0 0 0

##############################################
####                 SECTION: EPH
##############################################
 optdriver 7              # Enter EPH driver
 eph_task 4               # Compute e-ph self-energy (real + imag)
 tmesh 0 100 4            # [start, step, num_T] in K

 getddb_filepath "teph4zpr_1_DDB"
 ddb_ngqpt 4 4 4          # The code expects to find in the DDB
                          # all the IBZ q-points corresponding to a 4x4x4 q-mesh

 getdvdb_filepath "teph4zpr_2_DVDB"
 getwfk_filepath "teph4zpr_3o_DS1_WFK"    # 4x4x4 k-mesh with 70 bands

##############################################
####                 SECTION: Sigma_nk
##############################################
 nkptgw 1
 kptgw
    0.0    0.0    0.0
 bdgw
    8 9
 zcut 0.01 eV

# Activate computation of phonon band structure
 #ph_prtbands 0
 ph_ndivsm 10
 ph_nqpath 12
 ph_qpath
    0.0    0.0    0.0
    0.5    0.0    0.5
    0.5    0.25   0.75
    0.375  0.375  0.75
    0.0    0.0    0.0
    0.5    0.5    0.5
    0.625  0.25   0.625
    0.5    0.25   0.75
    0.5    0.5    0.5
    0.375  0.375  0.75
    0.625  0.25   0.625
    0.5    0.0    0.5

# Phonon DOS with tetrahedron method
 #ph_prtdos 0; ph_intmeth 2; ph_wstep 0.0001 eV
 ph_ngqpt 16 16 16

# Read crystal structure from DEN.nc file
 structure "abifile:MgO_eph_zpr/flow_zpr_mgo/w0/t0/outdata/out_DEN.nc"

 pp_dirpath "$ABI_PSPDIR"
 pseudos "O.psp8, Mg-sp-gw.psp8"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% test_chain =  teph4zpr_1.in, teph4zpr_2.in, teph4zpr_3.in, teph4zpr_4.in,
#%%               teph4zpr_5.in, teph4zpr_6.in, teph4zpr_7.in, teph4zpr_8.in
#%% [files]
#%% use_git_submodule = MgO_eph_zpr
#%% files_to_test =
#%%   teph4zpr_4.out, tolnlines= 57, tolabs=  3.000e-02, tolrel=  6.000e-03
#%% [paral_info]
#%% max_nprocs = 10
#%% [extra_info]
#%% authors = M. Giantomassi
#%% keywords = NC, DFPT, EPH
#%% description = ZPR computation at the Gamma point for MgO.
#%%<END TEST_INFO>