
.Version 9.0.0 of ANADDB 
.(MPI version, prepared for a x86_64_linux_gnu9.2 computer) 

.Copyright (C) 1998-2020 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 : Mon 24 Feb 2020.
- ( at 16h16 )
  

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

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

 Flags :
     dieflag         4
     elaflag         4
   instrflag         1
   piezoflag         7
 Miscellaneous information :
         asr         1
 First list of wavevector (reduced coord.) :
       nph1l         1
       qph1l
                     0.00000000E+00  0.00000000E+00  0.00000000E+00    1.000E+00
 Second list of wavevector (cart. coord.) :
       nph2l         1
       qph2l
                     0.00000000E+00  0.00000000E+00  1.00000000E+00    0.000E+00

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

 read the DDB information and perform some checks

 Real(R)+Recip(G) space primitive vectors, cartesian coordinates (Bohr,Bohr^-1):
 R(1)=  6.5407435  3.7763000  0.0000000  G(1)=  0.0764439  0.1324047  0.0000000
 R(2)= -6.5407435  3.7763000  0.0000000  G(2)= -0.0764439  0.1324047  0.0000000
 R(3)=  0.0000000  0.0000000 12.3333000  G(3)=  0.0000000  0.0000000  0.0810813
 Unit cell volume ucvol=  6.0926032E+02 bohr^3
 Angles (23,13,12)=  9.00000000E+01  9.00000000E+01  1.20000000E+02 degrees
 Now the whole DDB is in central memory

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

 Dielectric Tensor and Effective Charges 


 anaddb : Zero the imaginary part of the Dynamical Matrix at Gamma,
   and impose the ASR on the effective charges 

 The violation of the charge neutrality conditions
 by the effective charges is as follows :
    atom        electric field
 displacement     direction
       1               1      -12.581144        0.000000
       1               2       -0.000000        0.000000
       1               3        0.000000        0.000000
       2               1       -0.000000        0.000000
       2               2      -12.581144        0.000000
       2               3        0.000000        0.000000
       3               1        0.000000        0.000000
       3               2        0.000000        0.000000
       3               3        1.679040        0.000000

 Effective charge tensors after 
 imposition of the charge neutrality,
 and eventual restriction to some part :
   atom    displacement
         1         1    4.421931E+00    5.901414E-17    0.000000E+00
         1         2    3.244185E-16    4.421931E+00    0.000000E+00
         1         3    0.000000E+00    0.000000E+00    1.763045E+00
         2         1    4.421931E+00    5.901414E-17    0.000000E+00
         2         2    3.244185E-16    4.421931E+00    0.000000E+00
         2         3    0.000000E+00    0.000000E+00    1.763045E+00
         3         1   -4.421931E+00   -5.901414E-17    0.000000E+00
         3         2   -3.244185E-16   -4.421931E+00    0.000000E+00
         3         3    0.000000E+00    0.000000E+00   -1.763045E+00
         4         1   -4.421931E+00   -5.901414E-17    0.000000E+00
         4         2   -3.244185E-16   -4.421931E+00    0.000000E+00
         4         3    0.000000E+00    0.000000E+00   -1.763045E+00
 Now, the imaginary part of the dynamical matrix is zeroed

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

 Treat the first list of vectors 


  Phonon wavevector (reduced coordinates) :  0.00000  0.00000  0.00000
 Phonon energies in Hartree :
   0.000000E+00  0.000000E+00  0.000000E+00  2.130504E-04  2.130504E-04
   8.897649E-04  9.449228E-04  1.097826E-03  1.097826E-03  1.108051E-03
   1.171028E-03  1.171028E-03
 Phonon frequencies in cm-1    :
-  0.000000E+00  0.000000E+00  0.000000E+00  4.675915E+01  4.675915E+01
-  1.952808E+02  2.073866E+02  2.409449E+02  2.409449E+02  2.431892E+02
-  2.570110E+02  2.570110E+02

 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 modes #   2 to    3
  3.0  1.0  2.0  1.0 -0.0  1.0 -1.0  1.0  0.0  1.0  2.0  1.0
 Symmetry characters of vibration mode #   4
        degenerate with vibration mode #   5
  2.0 -0.0 -1.0  0.0 -1.0  0.0  2.0 -0.0 -1.0  0.0 -1.0  0.0
 Symmetry characters of vibration mode #   6
  1.0 -1.0 -1.0  1.0  1.0 -1.0 -1.0  1.0  1.0 -1.0 -1.0  1.0
 Symmetry characters of vibration mode #   7
  1.0 -1.0 -1.0  1.0  1.0 -1.0 -1.0  1.0  1.0 -1.0 -1.0  1.0
 Symmetry characters of vibration mode #   8
        degenerate with vibration mode #   9
  2.0 -0.0 -1.0 -0.0 -1.0  0.0  2.0 -0.0 -1.0 -0.0 -1.0  0.0
 Symmetry characters of vibration mode #  10
  1.0  1.0  1.0  1.0  1.0  1.0  1.0  1.0  1.0  1.0  1.0  1.0
 Symmetry characters of vibration mode #  11
        degenerate with vibration mode #  12
  2.0  0.0  1.0  0.0 -1.0 -0.0 -2.0 -0.0 -1.0  0.0  1.0  0.0

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

 Treat the second list of vectors 


  Phonon at Gamma, with non-analyticity in the
  direction (cartesian coordinates)  0.00000  0.00000  1.00000
 Phonon energies in Hartree :
   0.000000E+00  0.000000E+00  0.000000E+00  2.130504E-04  2.130504E-04
   8.897649E-04  9.449228E-04  1.097826E-03  1.097826E-03  1.171028E-03
   1.171028E-03  1.205786E-03
 Phonon frequencies in cm-1    :
-  0.000000E+00  0.000000E+00  0.000000E+00  4.675915E+01  4.675915E+01
-  1.952808E+02  2.073866E+02  2.409449E+02  2.409449E+02  2.570110E+02
-  2.570110E+02  2.646395E+02
  
 Mode effective charges 
 Mode number.     x               y               z 
-   1          -0.000          -0.000           0.000
-   2          -0.000          -0.000          -0.000
-   3          -0.000           0.000          -0.000
-   4          -0.000          -0.000           0.000
-   5          -0.000           0.000          -0.000
;   6           0.000           0.000          -0.000
;   7           0.000          -0.000          -0.000
-   8           0.000          -0.000           0.000
-   9          -0.000          -0.000           0.000
-  10           0.000          -8.838           0.000
-  11           8.838           0.000           0.000
;  12          -0.000           0.000           3.524
  
 Length of mode effective charge for each phonon mode :
   9.335680E-08  4.757155E-07  4.757155E-07  1.252822E-15  1.462733E-15
   2.151830E-15  3.605891E-15  5.174299E-15  2.408298E-14  8.838155E+00
   8.838155E+00  3.523816E+00
  
 Oscillator strengths (in a.u. ; 1 a.u.=253.2638413 m3/s2). Set to zero if abs()<tol14.
 Mode number.       xx          yy          zz          xy          xz          yz 
-   1     Real    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
-         Imag    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
-   2     Real    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
-         Imag    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
-   3     Real    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
-         Imag    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
-   4     Real    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
-         Imag    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
-   5     Real    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
-         Imag    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
;   6     Real    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
;         Imag    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
;   7     Real    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
;         Imag    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
-   8     Real    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
-         Imag    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
-   9     Real    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
-         Imag    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
-  10     Real    4.0455E-13  5.9404E-04  0.0000E+00 -1.5502E-08  0.0000E+00  0.0000E+00
-         Imag    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
-  11     Real    5.9404E-04  4.0455E-13  0.0000E+00  1.5502E-08  0.0000E+00  0.0000E+00
-         Imag    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
;  12     Real    0.0000E+00  0.0000E+00  9.4431E-05  0.0000E+00  0.0000E+00  0.0000E+00
;         Imag    0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  
 Trace of oscillator strength, for each phonon mode :
   0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00
   0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  5.940361E-04
   5.940361E-04  9.443131E-05

 Electronic dielectric tensor
     37.10067552      0.00000000     -0.00000000
      0.00000000     37.10067552     -0.00000000
     -0.00000000     -0.00000000      8.61272817


 Relaxed ion dielectric tensor
     46.03548050      0.00000000      0.00000000
      0.00000000     46.03548050      0.00000000
      0.00000000      0.00000000      9.95235036


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

 Calculation of the internal-strain  tensor


 Force-response internal strain tensor(Unit:Hartree/bohr)

 Atom dir   strainxx    strainyy    strainzz    strainyz    strainxz    strainxy
  1  x     0.0821910  -0.0821910   0.0000000  -0.0000000  -0.0728539  -0.0000000
  1  y     0.0000000   0.0000000   0.0000001  -0.0728543  -0.0000000  -0.0821910
  1  z    -0.0348222  -0.0348222   0.0880674   0.0000001  -0.0000000   0.0000000
  2  x    -0.0821910   0.0821910   0.0000000   0.0000000  -0.0728548   0.0000000
  2  y     0.0000000   0.0000000   0.0000001  -0.0728543   0.0000000   0.0821910
  2  z    -0.0348222  -0.0348222   0.0880672   0.0000001   0.0000001   0.0000000
  3  x     0.0888777  -0.0888777  -0.0000000  -0.0000002   0.0728556   0.0000000
  3  y    -0.0000000  -0.0000000  -0.0000001   0.0728543  -0.0000000  -0.0888776
  3  z     0.0348221   0.0348221  -0.0880673  -0.0000001   0.0000001  -0.0000001
  4  x    -0.0888777   0.0888776  -0.0000000   0.0000002   0.0728531  -0.0000000
  4  y    -0.0000000  -0.0000000  -0.0000001   0.0728542   0.0000000   0.0888775
  4  z     0.0348223   0.0348224  -0.0880673  -0.0000001  -0.0000001  -0.0000000

 Displacement-response internal strain tensor (Unit:Bohr)

 Atom dir   strainxx    strainyy    strainzz    strainyz    strainxz    strainxy
  1  x    -0.0178643   0.0178626  -0.0000005   0.0000106  -0.4035695  -0.0000034
  1  y     0.0000016  -0.0000007  -0.0000004  -0.4035115   0.0000008   0.0178554
  1  z    -0.2154097  -0.2154099   0.5447841   0.0000004  -0.0000002   0.0000001
  2  x     0.0178641  -0.0178620   0.0000010  -0.0000106  -0.4034422   0.0000034
  2  y    -0.0000013   0.0000009   0.0000012  -0.4034991  -0.0000008  -0.0178551
  2  z    -0.2154101  -0.2154099   0.5447826   0.0000004   0.0000004   0.0000003
  3  x     1.0957989  -1.0957968   0.0000005  -0.0000118   0.4035801   0.0000034
  3  y    -0.0000015   0.0000006   0.0000003   0.4035120  -0.0000012  -1.0957891
  3  z     0.2154089   0.2154085  -0.5447834  -0.0000004   0.0000010  -0.0000005
  4  x    -1.0957987   1.0957962  -0.0000009   0.0000118   0.4034317  -0.0000033
  4  y     0.0000012  -0.0000009  -0.0000011   0.4034986   0.0000012   1.0957887
  4  z     0.2154109   0.2154112  -0.5447834  -0.0000004  -0.0000012   0.0000001

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

 Calculation of the elastic and compliances tensor (Voigt notation)


 Elastic Tensor (relaxed ion) (unit:10^2GP):
  (at fixed electric field boundary condition)

   1.6441114   0.3947894   0.2045195   0.0000006  -0.0000011  -0.0000001
   0.3947894   1.6441115   0.2045195  -0.0000001   0.0000017   0.0000000
   0.2045194   0.2045194   1.7878990  -0.0000002  -0.0000001   0.0000000
   0.0000002  -0.0000002  -0.0000001   0.4657237  -0.0000000   0.0000001
  -0.0000014   0.0000014  -0.0000000  -0.0000000   0.4657236  -0.0000001
  -0.0000000   0.0000000  -0.0000000   0.0000001  -0.0000001   0.6246612

 Compliance Tensor (relaxed ion)  (unit: 10^-2GP^-1):
  (at fixed electric field boundary condition)

   0.6512072  -0.1492270  -0.0574220  -0.0000010   0.0000021   0.0000001
  -0.1492270   0.6512071  -0.0574220   0.0000004  -0.0000028  -0.0000001
  -0.0574220  -0.0574220   0.5724528   0.0000003   0.0000002  -0.0000000
  -0.0000004   0.0000003   0.0000001   2.1471959   0.0000000  -0.0000003
   0.0000023  -0.0000023   0.0000000   0.0000000   2.1471963   0.0000002
   0.0000000  -0.0000000   0.0000000  -0.0000003   0.0000002   1.6008678

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

 Calculation of the tensor related to piezoelectric effetc
  (Elastic indices in Voigt notation)


 Proper piezoelectric constants (clamped ion) (unit:c/m^2)

      0.00000000      0.00000000      0.37028634
      0.00000000      0.00000000      0.37028635
      0.00000000      0.00000000     -0.61925567
      0.00000000      0.81401550      0.00000180
      0.81401535      0.00000000      0.00000248
      0.00000000      0.00000000      0.00000009

 ddb_piezo : WARNING -
  Acoustic sum rule violation met : the eigenvalues of accoustic mode
  are too large at Gamma point
  Increase cutoff energy or k-points sampling.
  The three eigenvalues are:   -2.451766E-05    1.296465E-06   -2.451766E-05

 Proper piezoelectric constants (relaxed ion) (unit:c/m^2)

     -0.00000017      0.00000028      0.22765662
      0.00000045      0.00000022      0.22765665
      0.00000037      0.00000064     -0.25853733
     -0.00000000      0.14369063      0.00000208
      0.14368952     -0.00000000      0.00000255
     -0.00000003      0.00000028      0.00000023

 Piezoelectric d tensor (relaxed ion) (unit:pc/N)

      0.00000107     -0.00000025      1.29124844
     -0.00000096      0.00000114      1.29124858
      0.00000227      0.00000384     -1.74145410
     -0.00000001      3.08531941      0.00004438
      3.08529602     -0.00000001      0.00005468
     -0.00000014      0.00000402      0.00000352

 Piezoelectric g tensor (relaxed ion) (unit:m^2/c)

      0.00000000     -0.00000000      0.01448268
     -0.00000000      0.00000000      0.01448268
      0.00000001      0.00000001     -0.01953220
     -0.00000000      0.00756113      0.00000050
      0.00756107     -0.00000000      0.00000061
     -0.00000000      0.00000001      0.00000004

 Piezoelectric h tensor (relaxed ion) (unit:GN/c)

     -0.00000042      0.00000068      2.58348465
      0.00000112      0.00000053      2.58348499
      0.00000090      0.00000156     -2.93392399
     -0.00000000      0.35252267      0.00002364
      0.35251992     -0.00000000      0.00002893
     -0.00000007      0.00000069      0.00000261

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

 Free stress dielectric tensor (dimensionless)

     46.08554999     -0.00000000      0.00000086
     -0.00000000     46.08555076      0.00000067
      0.00000082      0.00000064     10.06960036

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

 Elastic Tensor (relaxed ion) (unit:10^2GP)
  (at fixed displacement field boundary condition)

   1.6499929   0.4006709   0.1978403   0.0000007  -0.0000011  -0.0000000
   0.4006709   1.6499930   0.1978402  -0.0000001   0.0000018   0.0000000
   0.1978402   0.1978402   1.7954843  -0.0000003  -0.0000002   0.0000000
   0.0000003  -0.0000001  -0.0000001   0.4662302  -0.0000000   0.0000001
  -0.0000013   0.0000014  -0.0000001  -0.0000000   0.4662301  -0.0000001
   0.0000000   0.0000000  -0.0000000   0.0000001  -0.0000001   0.6246612

 Compliance  Tensor (relaxed ion) (unit: 10^-2(GP)^-1)
  (at fixed displacement field boundary condition)

   0.6493371  -0.1510970  -0.0548999  -0.0000010   0.0000021   0.0000001
  -0.1510970   0.6493370  -0.0548999   0.0000003  -0.0000028  -0.0000001
  -0.0548999  -0.0548999   0.5690514   0.0000004   0.0000003  -0.0000000
  -0.0000004   0.0000003   0.0000002   2.1448630   0.0000000  -0.0000003
   0.0000023  -0.0000024   0.0000001   0.0000000   2.1448635   0.0000002
   0.0000000  -0.0000000   0.0000000  -0.0000003   0.0000002   1.6008678
-
- Proc.   0 individual time (sec): cpu=          0.0  wall=          0.0

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

+Total cpu time      0.028  and wall time      0.028 sec

 anaddb : the run completed succesfully.
