#Compute GaAs crystal : ground-state with few bands,
#then large number of bands, then ddk for different directions
#

 ndtset 5

#First dataset : SC run with 2 kpoints
 prtden1 1     getden1 0   getwfk1 0
 nband1  4     nstep1 30
 kptopt1 1


#Second dataset : NSC run with 32 kpoints, lots of bands
 iscf2 -2  getwfk2 1   getden2 1
 nband2  50

# ddk response function
   iscf3 -3
   nqpt3  1
    qpt3  0.0d0 0.0d0 0.0d0
  rfdir3  1 0 0
 rfelfd3  2
 getwfk3  2
  nband3  50

# ddk response function
   iscf4 -3
   nqpt4  1
    qpt4  0.0d0 0.0d0 0.0d0
  rfdir4  0 1 0
 rfelfd4  2
 getwfk4  2
  nband4  50


# ddk response function
   iscf5 -3
   nqpt5  1
    qpt5  0.0d0 0.0d0 0.0d0
  rfdir5  0 0 1
 rfelfd5  2
 getwfk5  2
  nband5  50


#Common data
 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
 ngkpt 2 2 2
 kptopt 2

 acell   3*10.60
 amu 69.72  74.9216
 diemac 10.0
 ecut 4.00
 ixc 3
 natom  2 nband 4  nbdbuf 0
 nstep 15
 ntypat  2
 rprim   0 .5 .5  .5 0 .5  .5 .5 0
 xred 3*0.00d0 3*0.25d0
 tnons 72*0.0
 typat  1 2  tolwfr  1.e-22
 znucl  31 33

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

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% test_chain = t56.in, t57.in 
#%% [files]
#%% files_to_test = 
#%%   t56.out, tolnlines = 2, tolabs = 1.100e-05, tolrel = 6.000e-05
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = Unknown
#%% keywords = NC, DFPT 
#%% description = 
#%%   GaAs, zinc-blende structure. Generate the data for optic (linear and non-linear coefficients).
#%%   to be analysed in the test 57.
#%% topics = Optic
#%%<END TEST_INFO>