#test GaAs crystal, with small ecut.
#note that localrdwf=1

 ndtset 4

#DATASET 1 : SC run with 2 kpoints
  prtden1  1     
    nqpt1  0
    nkpt1  2
  kptopt1  1
  tolwfr1  1.0d-22

#DATASET 2 : NSC run with 16 kpoints, without q-wavevector shift
   iscf2  -2     
   nqpt2   0    
 getwfk2   1   
 getden2   1
 tolwfr2   1.0d-22

#DATASET 3 : ddk perturbation (only the x direction is needed,
#thanks to the use of symmetries)
 getwfk3   2
   iscf3  -3     
   nqpt3   1   
    qpt3   0.0d0 0.0d0 0.0d0
  rfdir3   1 0 0
 rfelfd3   2
 tolwfr3   1.0d-22

#DATASET 4 : phonon and electric field perturbations 
  diemix4   0.7
  diemac4   1.0
  getddk4   3
  getwfk4   2
    nqpt4   1                             
     qpt4   0.0d0 0.0d0 0.0d0
 rfatpol4   1 2 
   rfdir4   1 1 1
  rfelfd4   3
  rfphon4   1
  tolwfr4   1.0d-16

#Common data
 nkpt 16
 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
 kptopt 2
 acell   3*10.60
 amu 69.72  74.9216
 ecut 1.00
 getden 0
 ixc 3
 localrdwf 1
 natom  2 nband 4  nbdbuf 0
 nstep 40

 nsym  24 ntypat  2
 occopt 1
 paral_kgb 0
 rprim   0 .5 .5  .5 0 .5  .5 .5 0
 symrel  1  0  0   0  1  0   0  0  1
  0  1 -1   1  0 -1   0  0 -1
  0 -1  1   0 -1  0   1 -1  0
 -1  0  0  -1  0  1  -1  1  0
  0  1  0   0  0  1   1  0  0
  1  0 -1   0  0 -1   0  1 -1
  0 -1  0   1 -1  0   0 -1  1
 -1  0  1  -1  1  0  -1  0  0
  0  0  1   1  0  0   0  1  0
  0  0 -1   0  1 -1   1  0 -1
  1 -1  0   0 -1  1   0 -1  0
 -1  1  0  -1  0  0  -1  0  1
  1  0 -1   0  1 -1   0  0 -1
  0  1  0   1  0  0   0  0  1
 -1  0  1  -1  0  0  -1  1  0
  0 -1  0   0 -1  1   1 -1  0
 -1  1  0  -1  0  1  -1  0  0
  1 -1  0   0 -1  0   0 -1  1
  0  0 -1   1  0 -1   0  1 -1
  0  0  1   0  1  0   1  0  0
  0 -1  1   1 -1  0   0 -1  0
 -1  0  0  -1  1  0  -1  0  1
  1  0  0   0  0  1   0  1  0
  0  1 -1   0  0 -1   1  0 -1
 xred 3*0.00d0 3*0.25d0
 timopt 2
 tnons 72*0.0
 typat  1 2  
 znucl  31 33


 pp_dirpath "$ABI_PSPDIR"
 pseudos "31ga.SGS_mod, 33as.SGS_mod"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% [paral_info]
#%% nprocs_to_test = 1, 2, 4, 10
#%% max_nprocs = 10
#%% [NCPU_1]
#%% files_to_test = t57_MPI1.out, tolnlines=   0,   tolabs=  0.0,      tolrel= 0.0, fld_options = -medium
#%% [NCPU_2]
#%% files_to_test = t57_MPI2.out, tolnlines=   0,   tolabs=  0.0,      tolrel= 0.0, fld_options = -medium
#%% [NCPU_4]
#%% files_to_test = t57_MPI4.out, tolnlines=   0,   tolabs=  0.0,      tolrel= 0.0, fld_options = -medium
#%% [NCPU_10]
#%% files_to_test = t57_MPI10.out, tolnlines=   0,   tolabs=  0.0,      tolrel= 0.0, fld_options = -medium
#%% [extra_info]
#%% keywords = NC, DFPT
#%% authors = Unknown
#%% description = 
#%%    GaAs in zinc-blende structure; GS and RF calculation
#%%    (similar to set E, except that mkmem,mkqmem,mk1mem=0)
#%%<END TEST_INFO>