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

!Flags
 ifcflag   1     ! Interatomic force constant flag

!Interatomic force constant info
  dipdip  0      ! Dipole-dipole interaction treatment
  ifcana  1      ! Analysis of the IFCs
  ifcout 20      ! Number of IFC's written in the output, per atom
  natifc  1      ! Number of atoms in the cell for which ifc's are analysed
   atifc  1      ! List of atoms

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

!Wavevector list number 1 (Reduced coordinates and normalization factor)
  nph1l    20      ! number of phonons in list 1
  qph1l   0.0  0.0  0.0    1.0  !  (Gamma point)
          0.1  0.0  0.0    1.0
          0.2  0.0  0.0    1.0
          0.3  0.0  0.0    1.0
          0.4  0.0  0.0    1.0
          0.5  0.0  0.0    1.0  !  (L point)
          0.5  0.1  0.0    1.0
          0.5  0.2  0.0    1.0
          0.5  0.3  0.0    1.0
          0.5  0.4  0.0    1.0
          0.5  0.5  0.0    1.0  !  (X point)
          0.5  0.5  0.1    1.0
          0.5  0.5  0.2    1.0
          0.5  0.5  0.3    1.0
          0.5  0.5  0.4    1.0
          0.5  0.5  0.5    1.0  !  (L point again)
          0.4  0.4  0.4    1.0
          0.3  0.3  0.3    1.0
          0.2  0.2  0.2    1.0
          0.1  0.1  0.1    1.0

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = anaddb
#%% input_ddb = t31.ddb.out
#%% test_chain = t30.in, t31.in, t32.in
#%% [files]
#%% files_to_test = 
#%%   t32.out, tolnlines = 4, tolabs = 1.1e-5, tolrel = 2.0e-8 
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% keywords = 
#%% authors = Unknown
#%% description = 
#%%   The derivative database generated by case 31 is now analyzed, and serves
#%%   to compute a phonon band structure.
#%%   There is a very small breaking of the symmetry-induced degeneracy
#%%   of modes along the (x x x) direction. This is due to an incomplete 
#%%   convergence. Indeed, if one makes tolwfr more stringent 
#%%   for response calculations (from 1.0d-16 to 1.0d-20), the 
#%%   lowest acoustic modes at (0.1 0.1 0.1), that are 4.042cm-1 and
#%%   4.067cm-1, becomes 4.05398 cm-1 and 4.05400 cm-1 . 
#%%   Of course, this effect cannot be seen for other modes, since only
#%%   the acoustic modes are sensitive to that level of accuracy ! 
#%% topics = PhononBands
#%%<END TEST_INFO>