!Input file for the anaddb code. Analysis of the SiO2 DDB

!Flags
 dieflag   1     ! Frequency-dependent Dielectric tensor flag
 ifcflag   1     ! Interatomic force constant flag
 thmflag   1     ! Thermal flag. Gives Internal energy, entropy,
                 !   heat capacity, phonon DOS, Debye-Waller factor)

!Effective charges
  chneut  2      ! Charge neutrality requirement for effective charges.
                 !        2=> imposed with weights proportional to screening)

!Interatomic force constant info
  dipdip  1      ! Dipole-dipole interaction treatment
  ifcana  1      ! Analysis of the IFCs
  ifcout 16      ! 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  1 4    ! List of atoms

!Thermal information
  nchan   1250   ! # of channels for the DOS with channel width 1 cm-1
  nwchan  5      ! # of different channel widths from this integer down to 1 cm-1
  thmtol  0.03  ! Tolerance on thermodynamical function fluctuations

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

!Wavevector grid number 2 (series of fine grids, extrapolated from intrat forces)
  ng2qpt   20 20 20  ! sample the BZ up to ngqpt2
  ngrids   1         ! number of grids of increasing size
  q2shft   0.0  0.0  0.5

!Wavevector list number 1 (Reduced coordinates and normalization factor)
  nph1l    11      ! number of phonons in list 1
  qph1l 0.0 0.0 0.0    1.0
        0.0 0.0 0.5    1.0
        0.0 0.0 0.45   1.0
        0.0 0.0 0.4    1.0
        0.0 0.0 0.35   1.0
        0.0 0.0 0.3    1.0
        0.0 0.0 0.25   1.0
        0.0 0.0 0.2    1.0
        0.0 0.0 0.15   1.0
        0.0 0.0 0.1    1.0
        0.0 0.0 0.05   1.0

!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 = 
#%%   t22.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% extra_inputs = t22.ddb.in.gz
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = P. Boulanger
#%% keywords = 
#%% description = 
#%%   SiO2 alpha-quartz with 9 atoms per cell.
#%%   Compute the atomic temperature factors.
#%%<END TEST_INFO>