
.Version 9.11.2 of ANADDB 
.(MPI version, prepared for a x86_64_linux_gnu9.3 computer) 

.Copyright (C) 1998-2024 ABINIT group . 
 ANADDB 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).

 ABINIT is a project of the Universite Catholique de Louvain,
 Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
 Please read https://docs.abinit.org/theory/acknowledgments for suggested
 acknowledgments of the ABINIT effort.
 For more information, see https://www.abinit.org .

.Starting date : Sat 15 Jul 2023.
- ( at 12h03 )
  

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

 -outvars_anaddb: echo values of input variables ----------------------

 Flags :
     ifcflag         1
     thmflag         3
 Miscellaneous information :
         asr         1
 Interatomic Force Constants Inputs :
      dipdip         0
      dipqua         1
      quadqu         1
      ifcana         0
      ifcout         0
 Description of grid 1 :
        brav         1
       ngqpt         1         1         1
      nqshft         1
      q1shft
                     0.00000000E+00  0.00000000E+00  0.00000000E+00
 Thermal information :
       nchan       800
      nwchan        10
      dostol         2.50000000E-01
      thmtol         2.50000000E-01
     ntemper        10
   temperinc         1.00000000E+02
   tempermin         1.00000000E+02
 Description of grid 2 (Fourier interp. or BZ sampling):
      ng2qpt         0         0         0
      ngrids         4
      q2shft         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    1.000E+00

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

 read the DDB information and perform some checks


  ==== Info on the Cryst% object ====
 Real(R)+Recip(G) space primitive vectors, cartesian coordinates (Bohr,Bohr^-1):
 R(1)= 15.0000000  0.0000000  0.0000000  G(1)=  0.0666667  0.0000000  0.0000000
 R(2)=  0.0000000 10.0000000  0.0000000  G(2)=  0.0000000  0.1000000  0.0000000
 R(3)=  0.0000000  0.0000000 10.0000000  G(3)=  0.0000000  0.0000000  0.1000000
 Unit cell volume ucvol=  1.5000000E+03 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)   -0.0492116  0.0000000 -0.0000000   H
    2)    0.0492116 -0.0000000  0.0000000   H

 DDB file with 1 blocks has been read.

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

 Calculation of the interatomic forces 

-begin at tcpu      0.025  and twall      0.036 sec
       Homogeneous q point set in the B.Z.
 Grid q points  :        1
  1)   0.00000000E+00  0.00000000E+00  0.00000000E+00

 The interatomic forces have been obtained

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

 Treat the first list of vectors 


  Phonon wavevector (reduced coordinates) :  0.00000  0.00000  0.00000
 Phonon energies in Hartree :
  -1.043312E-03 -1.043312E-03  0.000000E+00  0.000000E+00  0.000000E+00
   1.892478E-02
 Phonon frequencies in cm-1    :
- -2.289805E+02 -2.289805E+02  0.000000E+00  0.000000E+00  0.000000E+00
-  4.153509E+03

 Analysis of degeneracies and characters (maximum tolerance=1.00E-06 a.u.)
 For each vibration mode, or group of modes if degenerate,
 the characters are given for each symmetry operation (see the list in the log file).
 Symmetry characters of vibration mode #   1
        degenerate with vibration mode #   2
  2.0
 Symmetry characters of vibration mode #   3
       degenerate with vibration modes #   4 to    5
  3.0
 Symmetry characters of vibration mode #   6
  1.0

================================================================================
 Computation of the electron-phonon changes to the electronic eigenenergies

 thmeig : list of q wavevectors, with integration weights
     1    0.000000E+00    0.000000E+00    0.000000E+00        1.000000E+00

 Will write phonon DOS in file t69_ep_PDS

 For checking purposes, write ten values in the present file.
       Index    Energy (in Ha)      DOS
         1     -1.043312E-03      5.641896E+04
        51      1.147126E-03      0.000000E+00
       101      3.337564E-03      0.000000E+00
       151      5.528002E-03      0.000000E+00
       201      7.718440E-03      0.000000E+00
       251      9.908878E-03      0.000000E+00
       301      1.209932E-02      0.000000E+00
       351      1.428975E-02      0.000000E+00
       401      1.648019E-02      0.000000E+00
       451      1.867063E-02      0.000000E+00
 
--------------------------------------------------------------------------------
 
 Electron-phonon change of electronic structure.
 The temperature-dependent values are written in the _TBS file.
 Here follows, for each electronic wavevector and band :
      zero-point renormalisation (Ha) and linear slope (Ha/Kelvin)

 Kpt number      1, with reduced coordinates :    0.000000E+00    0.000000E+00    0.000000E+00
     1       -1.960888E-03       -6.562582E-07
     2       -5.922568E-05       -1.982129E-08
-
- Proc.   0 individual time (sec): cpu=          0.1  wall=          0.1

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

+Total cpu time      0.070  and wall time      0.091 sec

 anaddb : the run completed succesfully.
