!Input file for the anaddb code. Analysis of the AlAs ddb

! ddb file 
ddb_filepath = "trf2_3.ddb.abo"

! output file
output_file = "trf2_6.abo"
outdata_prefix = "trf2_6o"

!Flags
 ifcflag   1     ! Interatomic force constant flag
 ifcout    0
 thmflag   1     ! Thermodynamical properties flag

!Wavevector grid number 1 (coarse grid, from DDB)
  brav    1         ! 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*0.0

!Interatomic force constant info
  dipdip  1      ! Dipole-dipole interaction treatment

!Wavevector grid number 2 (series of fine grids, extrapolated from interat forces)
  ng2qpt   20 20 20  ! sample the BZ up to ngqpt2
  ngrids   5         ! number of grids of increasing size
  q2shft   3*0.0

!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  0.120  ! Tolerance on thermodynamical function fluctuations
  ntemper 10     ! Number of temperatures
  temperinc 20.  ! Increment of temperature in K for temperature dependency
  tempermin 20.  ! Minimal temperature in Kelvin

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = anaddb
#%% test_chain = trf2_1.abi, trf2_2.abi, trf2_3.abi, trf2_4.abi, trf2_5.abi, trf2_6.abi
#%% [files]
#%% files_to_test = trf2_6.abo, tolnlines=  0, tolabs=  0.000e+00, tolrel=  0.000e+00
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% authors = X. Gonze, J. Zwanziger
#%% keywords = 
#%% description = Input file for the anaddb code. Analysis of the SiO2 DDB
#%%<END TEST_INFO>
