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

!Flags
 ifcflag   1     ! Interatomic force constant flag
!  eivec   3     ! Write lwf-formatted file

!Interatomic force constant info
  dipdip   0      ! Dipole-dipole interaction treatment
  ifcana   0      ! Analysis of the IFCs
  ifcout   0      ! Number of IFC's written in the output, per atom
 nsphere  17      ! Number of atoms included in the cut-off sphere

!Wavevector grid number 1 (coarse grid, from DDB)
  brav    2      ! Bravais Lattice : 1-S.C., 2-F.C., 3-B.C., 4-Hex.)
  ngqpt   8  8  8   ! Monkhorst-Pack indices
  nqshft  1         ! number of q-points in repeated basic q-cell
  q1shft  0.5  0.5  0.5

!Wavevector list number 1 (Reduced coordinates and normalization factor)
  nph1l    4       ! 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   ! (L point)
         0.5  0.5  0.0    1.0   ! (X point)
         0.5  0.5  0.5    1.0   ! (L point again)

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = anaddb
#%% input_ddb = t16.ddb.in
#%% test_chain = t16.in, t17.in
#%% [files]
#%% files_to_test = 
#%%   t17.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% extra_inputs = 
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% keywords = 
#%% authors = Unknown
#%% description = 
#%%   Analyze a DDB for Silicon. Lattice parameter = 10.18 Angstrom.
#%%   IFCs are computed as in test 16, but by limiting artificially
#%%   the number of allowed interacting shells to 2. The total number
#%%   of atoms to be taken into account is 17 (1 for the shell 0,
#%%   4 for the shell 1, and 12 for the shell 2).
#%%   The frequencies at X and L points are again computed. They
#%%   can be compared with those provided in TABLE II (TA(X) mode
#%%   at 161.684 cm-1) and TABLE III (TA(L) mode at 127.508 cm-1)
#%%   in the above-mentioned paper. The number are close, with
#%%   small differences at the level of 0.001 cm-1 .
#%% topics = Phonons, PhononBands
#%%<END TEST_INFO>