#test GaAs crystal, with small ecut.
#Testing flag 'useylm' into response function calculations

  ndtset 5

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

#DATASET 2 : ddk perturbation (only the x direction is needed)
#            Use of Legendre polynomials in nl operator
 getwfk2   1
 getddk2   2    ! This is needed for the localisation tensor only
   iscf2  -3
   nqpt2   1
    qpt2   0.0d0 0.0d0 0.0d0
  rfdir2   1 0 0
 rfelfd2   2
 tolwfr2   1.0d-22
 useylm2   0

#DATASET 3 : phonon and electric field perturbations
#            Use of Legendre polynomials in nl operator
 getwfk3   1
 getddk3   2
   nqpt3   1
    qpt3   0.0d0 0.0d0 0.0d0
rfatpol3   1 2
  rfdir3   1 1 1
 rfelfd3   3
 rfphon3   1
 tolwfr3   1.0d-16
 useylm3   0

#DATASET 4 : ddk perturbation (only the x direction is needed)
#            Use of spherical harmonics in nl operator
 getwfk4   1
 getddk4   4    ! This is needed for the localisation tensor only
   iscf4  -3
   nqpt4   1
    qpt4   0.0d0 0.0d0 0.0d0
  rfdir4   1 0 0
 rfelfd4   2
 tolwfr4   1.0d-22
 useylm4   1

#DATASET 5 : phonon and electric field perturbations
#            Use of spherical harmonics in nl operator
 getwfk5   1
 getddk5   4
   nqpt5   1
    qpt5   0.0d0 0.0d0 0.0d0
rfatpol5   1 2
  rfdir5   1 1 1
 rfelfd5   3
 rfphon5   1
 tolwfr5   1.0d-16
 useylm5   1

#COMMON DATA
 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 3
 acell   3*10.60
 amu 69.72  74.9216
 diemac 6.0
 ecut 1.40
 ecutsm 0.40
 dilatmx 1.20
 chkdilatmx 0
 ixc 3
 natom  2 nband 4  nbdbuf 0
 nstep 12
 ntypat  2
 occopt 1
 rprim   0 .5 .5  .5 0 .5  .5 .5 0
 xred 3*0.00d0 3*0.25d0
 typat  1 2
 znucl  31 33
 useylm 0

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

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t02.out, tolnlines = 12, tolabs = 1.100e-03, tolrel = 1.0e-02, fld_options =  -medium
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = Unknown
#%% keywords = NC, DFPT
#%% description = 
#%%   2. Generate first-order responses for GaAs (zinc-blende) (from test v2 #98).
#%%   Compute responses at Gamma:
#%%   1) Ground state calculation, with a k-point sampling in the IBZ only;
#%%   2) Computation of the ddk response;
#%%   3) Computation of the dynamical matrix at Gamma, as well as the
#%%   Born effective charges, and the dielectric tensor ;
#%%   Perform five datasets:
#%%   * First dataset is the ground state calculation,
#%%   * Second dataset compute ddk perturbation
#%%   with the use of Legendre Polynomials for the nl operator,
#%%   * Third dataset compute phonon and elec. field perturbation
#%%   with the use of Legendre Polynomials for the nl operator,
#%%   * Fourth dataset compute ddk perturbation
#%%   with the use of spherical harmonics for the nl operator,
#%%   * Fifth dataset compute phonon and elec. field perturbation
#%%   with the use of spherical harmonics for the nl operator.
#%%   Datasets 2 and 3 must give the same results as 4 and 5.
#%%<END TEST_INFO>