******************************************************************************************
                                Welcome to MULTIBINIT,                         
 a software platform designed for the construction and use of second-principles models
                   for lattice, spin and electron degrees of freedom.

.Version 10.6.5 of MULTIBINIT 
.(MPI version, prepared for a x86_64_linux_gnu11.4 computer) 

.Copyright (C) 1998-2026 ABINIT group . 
 MULTIBINIT comes with ABSOLUTELY NO WARRANTY.
 It is free software, and you are welcome to redistribute it
 under certain conditions (GNU General Public License,
 see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).

 MULTIBINIT is a software project of the University of Liege
 (PHYTHEMA & NANOMAT groups), in collaboration with other partners.

-----------------------------------------------------------------------------------------

                          MULTIBINIT - LATTICE MODELS                   

 Project initiated and coordinated by Philippe GHOSEZ and his group at ULiege
   (Philippe.Ghosez@uliege.be).

 Main contributors: Alexandre MARTIN, Jordan BIEDER, Michael Marcus SCHMITT,
   Louis BASTOGNE, Xu HE, Alireza SASANI, Huazhang ZHANG, Subhadeep BANDYOPADHYAY,
   Philippe GHOSEZ.

 Technical support: Xu HE (X.He@uliege.be)

*****************************************************************************************



.Starting date : Tue  5 May 2026.
- ( at 13h01 )
  
- The starting date is more than 3 years after the initial release
- of this version of ABINIT, namely Jul 2022.
- This version of ABINIT is not supported anymore.
- Action: please, switch to a more recent version of ABINIT.
-  nproc =    1

================================================================================

 Read the information in the reference structure in 
-/home/hexu/projects/atomchain_dev/atomchain/.tmp/batio3_ddb_example/BaTiO3_phonon.ddb
 to initialize the multibinit input

================================================================================

 -outvars_multibinit: echo values of input variables ----------------------

 Flags : 
     ifcflag         1
   prt_model         4
     strcpli        -1
 Fit the coefficients :
         fit_coeff  1
 fit_generateCoeff  1
 fit_initializeDat  0
        fit_cutoff  8.00000000E+00
       fit_droprat  0.00000000E+00
        fit_option  0
         fit_iatom  0
        fit_ncoeff  3
          fit_grid  1  1  1
         ts_option  0
    fit_rangePower  3  3
     fit_dispterms  1
    fit_anhaStrain  0
    fit_SPCoupling  0
      fit_SPC_maxS  1
     fit_max_nbody        999
 Miscellaneous information :
         asr         2
 Interatomic Force Constants Inputs :
      dipdip         0
      ifcana         0
      ifcout   2000000
      natifc         5
       atifc         1   2   3   4   5
 Description of grid 1 :
        brav         1
       ngqpt         1         1         1
      nqshft         1
      q1shft
                     0.00000000E+00  0.00000000E+00  0.00000000E+00
 First list of wavevector (reduced coord.) :
       nph1l         1
       qph1l
                     0.00000000E+00  0.00000000E+00  0.00000000E+00    0.000E+00

================================================================================

 Read the DDB information of the reference system and perform some checks


  ==== Info on the Cryst% object ====
 Real(R)+Recip(G) space primitive vectors, cartesian coordinates (Bohr,Bohr^-1):
 R(1)=  7.5589045  0.0000000  0.0000000  G(1)=  0.1322943  0.0000000  0.0000000
 R(2)=  0.0000000  7.5589045  0.0000000  G(2)=  0.0000000  0.1322943  0.0000000
 R(3)=  0.0000000  0.0000000  7.5589045  G(3)=  0.0000000  0.0000000  0.1322943
 Unit cell volume ucvol=  4.3189341E+02 bohr^3
 Angles (23,13,12)=  9.00000000E+01  9.00000000E+01  9.00000000E+01 degrees
 Time-reversal symmetry is present
 Reduced atomic positions [iatom, xred, symbol]:
    1)    0.0000000  0.0000000  0.0000000  Ba
    2)    0.5000000  0.5000000  0.5000000  Ti
    3)    0.5000000  0.5000000  0.0000000   O
    4)    0.5000000  0.0000000  0.5000000   O
    5)    0.0000000  0.5000000  0.5000000   O

 DDB file with 0 blocks has been read.

================================================================================

 Extraction of the energy of the structure (unit: Hartree)

 Energy  =        0.000000000000E+00

================================================================================

 Extraction of the stress tensor (unit: GPa) and forces (unit: Ha/bohr)

 --- !WARNING:
     The stress tensor of the reference structure is not specify
     The stress tensor will be set to zero
 ---

================================================================================

 Extraction of the clamped elastic tensor (unit:10^2GPa)


 Warning : Elastic Tensor is set to zero (not available in the DDB)

================================================================================

 Calculation of acoustic sum rule


================================================================================

 Calculation of the interatomic forces from DDB

       Homogeneous q point set in the B.Z.
 Grid q points  :        1
  1)   0.00000000E+00  0.00000000E+00  0.00000000E+00

--- !ERROR
src_file: m_ddb.F90
src_line: 6848
mpi_rank: 0
message: |
    Information is missing in the DDB file.
    The dynamical matrix with iqpt= 1 cannot be built,
    since no block with qpt:     0.000000E+00    0.000000E+00    0.000000E+00 has been found.
    Action: add the required block in the DDB, or modify the q-mesh your input file.
...

