#test silicon linear chain.
#Warning : no mass is input, so do not test frequencies, but 2DTE

 ndtset 3

#Ground state
 nqpt1 0

#NSCF calculation with shift, q(0 0 1/2)
 nqpt2 1  iscf2 -2    qpt2  0.0 0.0 0.5
          getden2 1   getwfk2 1

#Phonon calculation at q(0 0 1/2), displacement of atom 1 in direction x
 nqpt3 1  qpt3  0.0 0.0 0.5
          getwfk3 1   getwfq3 2
  prtvol3  10
  rfphon3  1
 rfatpol3  1 1
   rfdir3  0 0 1
  diemix3  0.65
  diemac3  1.0
  tolwfr3  1.0d-15

#Common data
 acell   3*10.00
 amu 1.0d0
 diemac 1.5
 ecut  1.20
 ixc 3
 kptopt 0
 kpt
   0.00000   0.00000  -0.37500
   0.00000   0.00000  -0.12500
   0.00000   0.00000   0.12500
   0.00000   0.00000   0.37500
 natom  2 nband 4
 ngfft  3*16  nkpt  4
 nstep 30
 nsym   1 ntypat  1
 occopt 1
 prtden 1
 rprim   1.0  0.0  0.0
         0.0  1.0  0.0
         0.0  0.0  1.0
 symrel  1  0  0   0  1  0   0  0  1
 xred    0.0  0.0 -0.15
         0.0  0.0  0.15
 tnons 3*0.0
 typat  1 1
 tolwfr  1.e-22
 wtk 4*0.25
 znucl  14

 pp_dirpath "$ABI_PSPDIR"
 pseudos "14si.Hamann_mod"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable =  abinit
#%% [files]
#%% files_to_test = 
#%%   t04.out, tolnlines = 4, tolabs = 8.100e-10, tolrel = 2.0100e-01
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% authors = Unknown 
#%% keywords = NC, DFPT
#%% description = 
#%%   Linear chain of Si2 molecules (2 atoms per unit cell),
#%%   using a separable pseudopotential, with ixc=3.
#%%   Computation of the second derivative of the total energy
#%%   with respect to a atomic displacement perpendicular to 
#%%   the chain, with q(0 0 1/2) wavevector.
#%%   (see test.si.chain of RESPFN)
#%%<END TEST_INFO>