!Input file for the anaddb code. Analysis of the BaTiO3 DDB

!Flags
 dieflag   2     ! 2=> electronic dielectric tensor only
 ifcflag   1
 ifcout    0

!Generate output files for band2eps
 eivec 4

!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  1         ! number of q-points in repeated basic q-cell
  q1shft  3*0.0

!Wavevector list number 1 (Reduced coordinates and normalization factor)
  nph1l    41       ! number of phonons in list 1
  qph1l   0.001   0.00    0.00       1.0  !  (Gamma point)
          0.05    0.00    0.00       1.0
          0.10    0.00    0.00       1.0
          0.15    0.00    0.00       1.0
          0.20    0.00    0.00       1.0
          0.25    0.00    0.00       1.0
          0.30    0.00    0.00       1.0
          0.35    0.00    0.00       1.0
          0.40    0.00    0.00       1.0
          0.45    0.00    0.00       1.0
          0.50    0.00    0.00       1.0  !  (X point)
          0.45    0.05    0.05       1.0
          0.40    0.10    0.10       1.0
          0.35    0.15    0.15       1.0
          0.30    0.20    0.20       1.0
          0.25    0.25    0.25       1.0
          0.20    0.30    0.30       1.0
          0.15    0.35    0.35       1.0
          0.10    0.40    0.40       1.0
          0.05    0.45    0.45       1.0
          0.00    0.50    0.50       1.0  !  (M point)
          0.00    0.55    0.55       1.0
          0.00    0.60    0.60       1.0
          0.00    0.65    0.65       1.0
          0.00    0.70    0.70       1.0
          0.00    0.75    0.75       1.0
          0.00    0.80    0.80       1.0
          0.00    0.85    0.85       1.0
          0.00    0.90    0.90       1.0
          0.00    0.95    0.95       1.0
          0.00    0.999   0.999      1.0  !  (Gamma point)
          0.05    1.05    1.05       1.0
          0.10    1.10    1.10       1.0
          0.15    1.15    1.15       1.0
          0.20    1.20    1.20       1.0
          0.25    1.25    1.25       1.0
          0.30    1.30    1.30       1.0
          0.35    1.35    1.35       1.0
          0.40    1.40    1.40       1.0
          0.45    1.45    1.45       1.0
          0.50    1.50    1.50       1.0  !  (R point)



!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
#%% test_chain = t50.in, t51.in 
#%% [files]
#%% files_to_test = 
#%%   t50.out, tolnlines = 4, tolabs=  2.000e-05, tolrel=  2.000e-09
#%% extra_inputs = t50.ddb.in.gz
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% authors =  M. Veithen
#%% keywords = 
#%% description = 
#%%   BaTiO3, cubic structure.
#%%   Test the use of eivec=4, to produces files from which the
#%%   phonon band structure can be plotted (test 51). However, due
#%%   to problems of portability, the output files of this tests are
#%%   NOT used for the next one. Rather, files produced on one specific
#%%   platforms have been fixed as input of the next test, and are present
#%%   as t51_band2eps.displ and t51_band2eps.freq.
#%%<END TEST_INFO>