# H compressed simple cubic, metallic.
# Large smearing width
# GGA

 ndtset 4
 ixc 11

# Defaults for phonon calculations
    nqpt   1
  rfphon   1
 rfatpol   1 1
   rfdir   0 1 0


#DATASET 1 : SC run with 4 kpoints
  getwfk1  0
    nqpt1  0
  rfphon1  0
  kptopt1  1
  tolwfr1  1.0d-22

#DATASET 2 : RF at Gamma
     qpt2   0.0d0 0.0d0 0.0d0
  rfphon2   1
  toldfe2   1.0d-10

#DATASET 3 : RF at 1/2 0 0
     qpt3   0.5d0 0.0d0 0.0d0
  rfphon3   1
  toldfe3   1.0d-10

#DATASET 4 : RF at 1/4 0 0
     qpt4   0.25d0 0.0d0 0.0d0
  rfphon4   1
  toldfe4   1.0d-10

#Common data
 acell  3*2.60

 ntypat 1
 znucl 1.0
 natom 1
 typat  1
 xred 0.0 0.0 0.0

 nstep 20

 ecut 20.0

 nband  3
 nbdbuf 1
 getwfk 1

 kptopt 3
 occopt 7
 tsmear 0.2

 ngkpt  4 4 4
 shiftk
   0.5 0.5 0.5


 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosGTH_pwteter/01h.pspgth"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t72.out, tolnlines = 0, tolabs = 1.810e-11, tolrel = 1.000e-10
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% authors = Unknown
#%% keywords = NC, DFPT
#%% description = 
#%%   H, compressed simple cubic, to test accurately RF in the GGA
#%%   with non-zero q. Similar to Tv2#90, except for GGA.
#%%   No linear XC core correction.
#%%   The total energy of the 1-atom cell is -0.56144810109 Ha
#%%   The 2DTE with respect to a q(0 0 0) phonon is 4.3E-6 .
#%%   The 2DTE with respect to a transverse q(1/2 0 0) phonon
#%%   is  2.076817E-02 . The 2DTE with respect to a transverse
#%%   q(1/4 0 0) phonon is 1.105266E-02.
#%%<END TEST_INFO>