# Li compressed simple cubic, metallic.
# Large smearing width

 ndtset 3

# 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

#Common data
 acell  3*4.90

 ntypat 1
 znucl 3.0
 natom 1
 typat  1
 xred 0.0 0.0 0.0

 nstep 20

 ecut 5.0
 ecutsm 1.0
 dilatmx 1.10

 nband  3
 nbdbuf 1
 getwfk 1

 kptopt 3
 occopt 7
 tsmear 0.04

 ngkpt  4 4 4
 shiftk
   0.5 0.5 0.5


 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/3li.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t96.out, tolnlines = 0, tolabs = 1.001e-09, tolrel = 1.100e-02, fld_options = -medium
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% keywords = NC, DFPT
#%% authors = Unknown
#%% description = 
#%%   Li, simple cubic, to test accurately RF in the metallic case.
#%%   With non-linear XC core correction and non-zero ecutsm and dilatmx.
#%%   Similar to test 92, except ecutsm and dilatmx, and no q(1/4 0 0).
#%%   The total energy of the 1-atom cell is -.29337493523588 Ha
#%%   The 2DTE with respect to a q(0 0 0) phonon is 5.5619d-8 .
#%%   The 2DTE with respect to a transverse q(1/2 0 0) phonon
#%%   is -0.12068188927 Ha. 
#%%<END TEST_INFO>