#Lattice parameters
#******************
    acell   3*1.0616530850E+01
    rprim   0.0 0.5 0.5
            0.5 0.0 0.5
            0.5 0.5 0.0

#Definition of the atoms
#***********************
    natom   2
   ntypat   2
    znucl   13 33
    typat   1  2
     xred   0    0    0
            0.25 0.25 0.25
      ixc   1

#k-point grid, SCF cycles and plane wave basis set
#*************************************************
    nstep   9
     ecut   3
    ngkpt   2 2 2
  nshiftk   4
   shiftk   0.5 0.5 0.5
            0.5 0.0 0.0
            0.0 0.5 0.0
            0.0 0.0 0.5


ndtset 3     jdtset 1 2 3

#DATASET1 : scf calculation: GS WF in the iBZ
#*********************************************
   prtden1   1
   kptopt1   1
   toldfe1   1.0d-12

#DATASET2 : non scf calculation: GS WF in the whole BZ +
#********   Berry phase calculation of the polarization and the ddk
   getden2   1
   getwfk2   1
   kptopt2   2
     iscf2  -2
   tolwfr2   1.0d-22
    nband2   4
 berryopt2  -3

#DATASET3 : ddE on the MP grid of k-points
#*****************************************
   getwfk3   2
   getddk3   2
   tolvrs3   1.0d-16
    nstep3   10
   rfelfd3   3
   rfphon3   1
   rfstrs3   3
    nband3   4
   kptopt3   2

#Backwards compatibility
     asr   0   # The default value 1 is preferable, this is only to keep backward compatibility for the automatic tests
  chneut   0   # The default value 1 is preferable, this is only to keep backward compatibility for the automatic tests


nbdbuf 0
gpu_option 2

 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/13al.pspnc, PseudosTM_pwteter/33as.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% exclude_builders = eos_nvhpc_23.9_elpa
#%% [files]
#%% files_to_test = 
#%%   t40.abo, tolnlines = 4, tolabs = 1.010e-7, tolrel = 6.000e-05, fld_options =  -medium
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = M. Sarraute
#%% keywords = NC, DFPT
#%% description = 
#%%   AlAs, zinc-blende structure (Test of Na Sai's technique)
#%%   To compute the polarization, the finite
#%%   difference expression of the ddk and the second-order
#%%   energy derivatives.
#%% topics = Berry
#%%<END TEST_INFO>