!Input file for the anaddb code. Analysis of the BaTiO3 DDB

!Flags
 dieflag   2     ! 2=> electronic dielectric tensor only
 ifcflag   1     ! Interatomic force constant flag

!Interatomic force constant info
  dipdip  1      ! Dipole-dipole interaction treatment
  ifcana  1      ! Analysis of the IFCs
  ifcout 21      ! Number of IFC's written in the output, per atom
  natifc  2      ! Number of atoms in the cell for which ifc's are analysed
   atifc  2 3    ! List of atoms

!Wavevector grid number 1 (coarse grid, from DDB)
  brav   -1      ! Bravais Lattice : 1-S.C., 2-F.C., 3-B.C., 4-Hex.)
  ngqpt   2  2  2   ! Monkhorst-Pack indices
  nqshft  2         ! number of q-points in repeated basic q-cell
  q1shft  3*0.0  3*0.5

!Wavevector list number 1 (Reduced coordinates and normalization factor)
  nph1l    7       ! number of phonons in list 1
  qph1l    0.0    0.0    0.0       1.0   ! (G point)
           0.5    0.0    0.0       1.0   ! (X point)
           0.0    0.5    0.5       1.0   ! (M point)
           0.5    0.5    0.5       1.0   ! (R point)
           0.125  0.125  0.125     1.0   ! (1/4 along the Gamma-R line)
           0.25   0.25   0.25      1.0   ! (1/2 along the Gamma-R line)
           0.375  0.375  0.375     1.0   ! (3/4 along the Gamma-R line)


!Wavevector list number 2 (Gamma point only, with limiting direction
!           in cartesian coordinates. )
  nph2l  1         ! number of phonons in list 2
  qph2l  0.0 0.0 1.0    0.0

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = anaddb
#%% input_ddb = t18.ddb.in
#%% test_chain = t18.abi, t19.abi, t20.abi, t21.abi
#%% [files]
#%% files_to_test = 
#%%   t20.abo, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% keywords = 
#%% authors = Unknown
#%% description = 
#%%   Analyze a DDB for BaTiO3, same as test18, but IFCs are
#%%   obtained from a 2x2x2 BCC grid (referred to as M2
#%%   in the above-mentioned paper by Ghosez et al).
#%%   At q(1/8 1/8 1/8), the lowest mode is  i 153.5 cm-1 .
#%%   The error, compared with the reference result of test 18,
#%%   is still 10%, but much less than with the grid of test 19.
#%%   Also, the IFCs are obtained and can be compared with those
#%%   provided in TABLE III-V of the Ghosez et al paper.
#%%   Note the decomposition between dipole-dipole contribution
#%%   and short-ranged contribution.
#%% topics = Phonons, PhononBands
#%%<END TEST_INFO>