!Input file for the anaddb code. Analysis of the PbZrO3 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  4         ! number of q-points in repeated basic q-cell
  q1shft   0.0  0.0  0.0
           0.0  0.5  0.5
           0.5  0.0  0.5
           0.5  0.5  0.0

!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
#%% [files]
#%% files_to_test = 
#%%   t25.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% extra_inputs = t25.ddb.in.gz
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% keywords = 
#%% authors = Unknown
#%% description = 
#%%   Analyze a DDB for PbZrO3. It is also a ABO3 compound, like
#%%   BaTiO3 (see tests 18 to 21), but the DDB contains the q-wavevectors
#%%   on a 2x2x2 FCC grid, finer than those tested for BaTiO3.
#%%   Output : analysis of IFCs, as well as a few phonon frequencies.
#%% topics = PhononBands
#%%<END TEST_INFO>