
     Program PHONON v.6.3 starts on 23Nov2018 at 14:51:10 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     8 processors

     MPI processes distributed on     1 nodes
     R & G space division:  proc/nbgrp/npool/nimage =       8

     Reading data from directory:
     /scratch/timrov/WORK_DFPT_plus_U/A_PORTING_2018/A_Gitlab/A_my_Gitlab_08.11.2018/q-e/tempdir/LiCoO2.save/

     IMPORTANT: XC functional enforced from input :
     Exchange-correlation      = PBESOL ( 1  4 10  8 0 0)
     Any further DFT definition will be discarded
     Please, verify this is what you really want

               file Co.pbesol-spn-rrkjus_psl.0.3.1.UPF: wavefunction(s)  3P renormalized
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         153      75     25                 2625      930     181
     Max         154      76     26                 2626      931     182
     Sum        1225     607    203                21003     7445    1455
 

     Check: negative core charge=   -0.000058

     Phonon calculation with DFPT+U; please cite
     A. Floris et al., Phys. Rev. B 84, 161102(R) (2011)
     in publications or presentations arising from this work.

     Calculation of q =    0.0000000   0.0000000   0.0000000

     phonons of LiCoO2 at Gamma                                                 

     bravais-lattice index     =            5
     lattice parameter (alat)  =       9.3705  a.u.
     unit-cell volume          =     217.1091 (a.u.)^3
     number of atoms/cell      =            4
     number of atomic types    =            3
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     320.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBESOL ( 1  4 10  8 0 0)
      Hubbard parameters:
      U ( 1)     =  3.00000000


     celldm(1)=    9.37050  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.83874  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  0.2840 -0.1639  0.9447 )  
               a(2) = (  0.0000  0.3279  0.9447 )  
               a(3) = ( -0.2840 -0.1639  0.9447 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  1.7608 -1.0166  0.3528 )  
               b(2) = (  0.0000  2.0333  0.3528 )  
               b(3) = ( -1.7608 -1.0166  0.3528 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Co  58.9332   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     O   15.9990   tau(    2) = (    0.00000   -0.00000    0.73827  )
        3     O   15.9990   tau(    3) = (    0.00000   -0.00000    2.09589  )
        4     Li   6.9400   tau(    4) = (    0.00000   -0.00000    1.41708  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.0000000   0.0000000 )
 
     13 Sym.Ops. (with q -> -q+G )


     G cutoff =  711.7308  (   2626 G-vectors)     FFT grid: ( 54, 54, 54)
     G cutoff =  355.8654  (    931 G-vectors)  smooth grid: ( 40, 40, 40)
     number of k points=    13
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0312500
        k(    2) = (  -0.4402118  -0.2541564   0.0882097), wk =   0.1875000
        k(    3) = (   0.8804236   0.5083128  -0.1764194), wk =   0.0937500
        k(    4) = (  -0.4402118   0.2541564   0.1764194), wk =   0.1875000
        k(    5) = (   0.8804236   1.0166256  -0.0882097), wk =   0.3750000
        k(    6) = (   0.4402118   0.7624692   0.0000000), wk =   0.1875000
        k(    7) = (   0.8804236  -0.5083128  -0.3528387), wk =   0.0937500
        k(    8) = (   0.0000000   0.0000000   0.2646291), wk =   0.0625000
        k(    9) = (   1.3206354   0.7624692   0.0000000), wk =   0.1875000
        k(   10) = (   0.8804236   0.5083128   0.0882097), wk =   0.1875000
        k(   11) = (   1.3206354  -0.7624692  -0.2646291), wk =   0.1875000
        k(   12) = (   0.8804236  -1.0166256  -0.1764194), wk =   0.1875000
        k(   13) = (   0.0000000   0.0000000  -0.5292581), wk =   0.0312500

     PseudoPot. # 1 for Co read from file:
     /scratch/timrov/WORK_DFPT_plus_U/A_PORTING_2018/A_Gitlab/A_my_Gitlab_08.11.2018/q-e/pseudo/Co.pbesol-spn-rrkjus_psl.0.3.1.UPF
     MD5 check sum: be6bd9f12902551d80f7748aded6479c
     Pseudo is Ultrasoft + core correction, Zval = 17.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Using radial grid of 1193 points,  6 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
                l(6) =   2
     Q(r) pseudized with 0 coefficients 


     PseudoPot. # 2 for O  read from file:
     /scratch/timrov/WORK_DFPT_plus_U/A_PORTING_2018/A_Gitlab/A_my_Gitlab_08.11.2018/q-e/pseudo/O.pbesol-n-rrkjus_psl.0.1.UPF
     MD5 check sum: bd3a94f595980770d88934e89ba8e519
     Pseudo is Ultrasoft + core correction, Zval =  6.0
     Generated using "atomic" code by A. Dal Corso v.6.3MaX
     Using radial grid of 1095 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     PseudoPot. # 3 for Li read from file:
     /scratch/timrov/WORK_DFPT_plus_U/A_PORTING_2018/A_Gitlab/A_my_Gitlab_08.11.2018/q-e/pseudo/Li.pbesol-s-rrkjus_psl.0.2.1.UPF
     MD5 check sum: 7d78e5abfb8299c9ad50f6162b1076c3
     Pseudo is Ultrasoft, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415
     Using radial grid of 1017 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, D_3d (-3m)  point group:


     Electric field:
     Dielectric constant
     Born effective charges as d Force / d E


     Atomic displacements:
     There are   8 irreducible representations

     Representation     1      1 modes -A_1g L_1  To be done

     Representation     2      2 modes -E_g  L_3  To be done

     Representation     3      1 modes -A_2u L_2'  To be done

     Representation     4      1 modes -A_2u L_2'  To be done

     Representation     5      1 modes -A_2u L_2'  To be done

     Representation     6      2 modes -E_u  L_3'  To be done

     Representation     7      2 modes -E_u  L_3'  To be done

     Representation     8      2 modes -E_u  L_3'  To be done



     Atomic wfc used for the DFT+U projector are NOT orthogonalized

     Calculating the dnsbare matrix...

     Calculating the dnsorth_cart matrix...

     Alpha used in Ewald sum =   2.8000

     Calculating the d2ns_bare matrix. It might take a while!
     k point #     1   out of    13
     k point #     2   out of    13
     k point #     3   out of    13
     k point #     4   out of    13
     k point #     5   out of    13
     k point #     6   out of    13
     k point #     7   out of    13
     k point #     8   out of    13
     k point #     9   out of    13
     k point #    10   out of    13
     k point #    11   out of    13
     k point #    12   out of    13
     k point #    13   out of    13
     PHONON       :     22.04s CPU     22.37s WALL


     Electric Fields Calculation

      iter #   1 total cpu time :    30.9 secs   av.it.:  11.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.645E-06

      iter #   2 total cpu time :    34.7 secs   av.it.:  20.2
      thresh= 1.283E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.651E-06

      iter #   3 total cpu time :    38.2 secs   av.it.:  17.5
      thresh= 3.107E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.749E-08

      iter #   4 total cpu time :    41.9 secs   av.it.:  18.9
      thresh= 2.784E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.687E-10

      iter #   5 total cpu time :    45.8 secs   av.it.:  19.7
      thresh= 2.772E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.483E-12

      iter #   6 total cpu time :    49.7 secs   av.it.:  20.2
      thresh= 1.218E-07 alpha_mix =  0.700 |ddv_scf|^2 =  9.638E-14

      iter #   7 total cpu time :    53.6 secs   av.it.:  20.4
      thresh= 3.105E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.974E-16

     End of electric fields calculation

          Dielectric constant in cartesian axis 

          (       7.169290506       0.000000000       0.000000000 )
          (       0.000000000       7.169290506       0.000000000 )
          (       0.000000000       0.000000000       3.999521670 )

          Effective charges (d Force / dE) in cartesian axis

           atom      1   Co 
      Ex  (        2.29831        0.00000       -0.00000 )
      Ey  (        0.00000        2.29831       -0.00000 )
      Ez  (       -0.00000       -0.00000        0.33426 )
           atom      2   O  
      Ex  (       -2.03488        0.00000        0.00000 )
      Ey  (        0.00000       -2.03488       -0.00000 )
      Ez  (        0.00000       -0.00000       -1.27988 )
           atom      3   O  
      Ex  (       -2.03488       -0.00000        0.00000 )
      Ey  (        0.00000       -2.03488       -0.00000 )
      Ez  (       -0.00000       -0.00000       -1.27988 )
           atom      4   Li 
      Ex  (        1.13060        0.00000        0.00000 )
      Ey  (        0.00000        1.13060       -0.00000 )
      Ez  (        0.00000       -0.00000        1.67611 )


     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    59.6 secs   av.it.:  10.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.385E-05

      iter #   2 total cpu time :    60.9 secs   av.it.:  17.3
      thresh= 5.818E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.357E-04

      iter #   3 total cpu time :    62.2 secs   av.it.:  16.7
      thresh= 1.165E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.643E-05

      iter #   4 total cpu time :    63.5 secs   av.it.:  17.2
      thresh= 4.054E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.302E-07

      iter #   5 total cpu time :    64.7 secs   av.it.:  16.5
      thresh= 9.645E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.330E-08

      iter #   6 total cpu time :    65.9 secs   av.it.:  16.5
      thresh= 3.054E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.927E-08

      iter #   7 total cpu time :    67.2 secs   av.it.:  17.0
      thresh= 2.632E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.173E-09

      iter #   8 total cpu time :    68.4 secs   av.it.:  15.8
      thresh= 9.578E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.752E-09

      iter #   9 total cpu time :    69.6 secs   av.it.:  16.6
      thresh= 7.585E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.550E-12

      iter #  10 total cpu time :    71.0 secs   av.it.:  18.3
      thresh= 1.884E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.104E-10

      iter #  11 total cpu time :    72.2 secs   av.it.:  15.6
      thresh= 1.051E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.539E-11

      iter #  12 total cpu time :    73.5 secs   av.it.:  16.5
      thresh= 3.924E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.291E-13

      iter #  13 total cpu time :    74.7 secs   av.it.:  17.2
      thresh= 6.551E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.285E-13

      iter #  14 total cpu time :    76.0 secs   av.it.:  16.5
      thresh= 7.270E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.215E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :    79.3 secs   av.it.:  10.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.972E-07

      iter #   2 total cpu time :    82.1 secs   av.it.:  20.3
      thresh= 6.303E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.497E-09

      iter #   3 total cpu time :    85.0 secs   av.it.:  21.3
      thresh= 4.997E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.015E-10

      iter #   4 total cpu time :    87.7 secs   av.it.:  20.6
      thresh= 1.008E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.046E-12

      iter #   5 total cpu time :    90.7 secs   av.it.:  22.4
      thresh= 1.023E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.599E-14

      iter #   6 total cpu time :    93.6 secs   av.it.:  22.3
      thresh= 1.897E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.768E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :    95.8 secs   av.it.:   8.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.772E-06

      iter #   2 total cpu time :    97.1 secs   av.it.:  17.0
      thresh= 1.942E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.495E-05

      iter #   3 total cpu time :    98.3 secs   av.it.:  15.7
      thresh= 3.866E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.683E-07

      iter #   4 total cpu time :    99.5 secs   av.it.:  15.8
      thresh= 8.766E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.398E-08

      iter #   5 total cpu time :   100.7 secs   av.it.:  16.1
      thresh= 1.548E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.688E-11

      iter #   6 total cpu time :   102.0 secs   av.it.:  17.1
      thresh= 4.109E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.316E-13

      iter #   7 total cpu time :   103.2 secs   av.it.:  17.0
      thresh= 3.627E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.090E-14

      iter #   8 total cpu time :   104.4 secs   av.it.:  16.1
      thresh= 1.758E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.746E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :   106.6 secs   av.it.:   9.6
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.618E-06

      iter #   2 total cpu time :   107.8 secs   av.it.:  16.7
      thresh= 1.618E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.391E-06

      iter #   3 total cpu time :   109.0 secs   av.it.:  16.0
      thresh= 2.096E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.353E-06

      iter #   4 total cpu time :   110.2 secs   av.it.:  15.8
      thresh= 1.163E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.240E-08

      iter #   5 total cpu time :   111.4 secs   av.it.:  16.5
      thresh= 1.113E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.850E-10

      iter #   6 total cpu time :   112.6 secs   av.it.:  16.2
      thresh= 2.202E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.698E-13

      iter #   7 total cpu time :   113.9 secs   av.it.:  17.1
      thresh= 8.184E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.264E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :   116.2 secs   av.it.:  12.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.923E-04

      iter #   2 total cpu time :   117.4 secs   av.it.:  17.3
      thresh= 1.387E-03 alpha_mix =  0.700 |ddv_scf|^2 =  7.405E-04

      iter #   3 total cpu time :   118.6 secs   av.it.:  15.7
      thresh= 2.721E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.525E-05

      iter #   4 total cpu time :   119.8 secs   av.it.:  15.9
      thresh= 5.937E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.588E-07

      iter #   5 total cpu time :   121.0 secs   av.it.:  16.1
      thresh= 8.711E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.670E-10

      iter #   6 total cpu time :   122.2 secs   av.it.:  17.7
      thresh= 1.292E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.846E-12

      iter #   7 total cpu time :   123.5 secs   av.it.:  17.4
      thresh= 1.687E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.947E-13

      iter #   8 total cpu time :   124.7 secs   av.it.:  16.7
      thresh= 6.282E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.673E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 modes #   7  8

     Self-consistent Calculation

      iter #   1 total cpu time :   127.9 secs   av.it.:  10.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.446E-07

      iter #   2 total cpu time :   130.6 secs   av.it.:  20.7
      thresh= 5.870E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.227E-09

      iter #   3 total cpu time :   133.4 secs   av.it.:  21.1
      thresh= 4.719E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.869E-11

      iter #   4 total cpu time :   136.0 secs   av.it.:  19.7
      thresh= 9.934E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.282E-12

      iter #   5 total cpu time :   138.6 secs   av.it.:  19.7
      thresh= 1.132E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.335E-14

      iter #   6 total cpu time :   141.4 secs   av.it.:  21.2
      thresh= 1.155E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.675E-17

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  7 modes #   9 10

     Self-consistent Calculation

      iter #   1 total cpu time :   144.2 secs   av.it.:   5.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.344E-08

      iter #   2 total cpu time :   146.6 secs   av.it.:  18.3
      thresh= 2.519E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.130E-09

      iter #   3 total cpu time :   149.1 secs   av.it.:  18.6
      thresh= 5.595E-06 alpha_mix =  0.700 |ddv_scf|^2 =  8.843E-12

      iter #   4 total cpu time :   151.8 secs   av.it.:  20.1
      thresh= 2.974E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.592E-13

      iter #   5 total cpu time :   154.4 secs   av.it.:  19.7
      thresh= 5.993E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.192E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  8 modes #  11 12

     Self-consistent Calculation

      iter #   1 total cpu time :   157.9 secs   av.it.:  13.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.115E-06

      iter #   2 total cpu time :   160.6 secs   av.it.:  20.4
      thresh= 2.262E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.718E-08

      iter #   3 total cpu time :   163.4 secs   av.it.:  21.2
      thresh= 1.649E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.658E-10

      iter #   4 total cpu time :   166.2 secs   av.it.:  21.4
      thresh= 1.287E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.505E-12

      iter #   5 total cpu time :   169.0 secs   av.it.:  21.5
      thresh= 2.550E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.154E-14

      iter #   6 total cpu time :   171.8 secs   av.it.:  22.1
      thresh= 2.038E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.247E-16

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    1
     List of q in the star:
          1   0.000000000   0.000000000   0.000000000

          Dielectric constant in cartesian axis 

          (       7.169290506       0.000000000       0.000000000 )
          (       0.000000000       7.169290506       0.000000000 )
          (       0.000000000       0.000000000       3.999521670 )

          Effective charges (d Force / dE) in cartesian axis

           atom      1   Co 
      Ex  (        2.29831        0.00000       -0.00000 )
      Ey  (        0.00000        2.29831       -0.00000 )
      Ez  (       -0.00000       -0.00000        0.33426 )
           atom      2   O  
      Ex  (       -2.03488        0.00000        0.00000 )
      Ey  (        0.00000       -2.03488       -0.00000 )
      Ez  (        0.00000       -0.00000       -1.27988 )
           atom      3   O  
      Ex  (       -2.03488       -0.00000        0.00000 )
      Ey  (        0.00000       -2.03488       -0.00000 )
      Ez  (       -0.00000       -0.00000       -1.27988 )
           atom      4   Li 
      Ex  (        1.13060        0.00000        0.00000 )
      Ey  (        0.00000        1.13060       -0.00000 )
      Ez  (        0.00000       -0.00000        1.67611 )

     Diagonalizing the dynamical matrix

     q = (    0.000000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =      -0.576056 [THz] =     -19.215164 [cm-1]
     freq (    2) =      -0.576056 [THz] =     -19.215164 [cm-1]
     freq (    3) =       1.352787 [THz] =      45.124106 [cm-1]
     freq (    4) =       7.056453 [THz] =     235.377923 [cm-1]
     freq (    5) =       7.056453 [THz] =     235.377923 [cm-1]
     freq (    6) =      11.573941 [THz] =     386.065113 [cm-1]
     freq (    7) =      14.268279 [THz] =     475.938555 [cm-1]
     freq (    8) =      14.268279 [THz] =     475.938555 [cm-1]
     freq (    9) =      15.901203 [THz] =     530.407051 [cm-1]
     freq (   10) =      15.901203 [THz] =     530.407051 [cm-1]
     freq (   11) =      16.944196 [THz] =     565.197528 [cm-1]
     freq (   12) =      17.131539 [THz] =     571.446636 [cm-1]
 **************************************************************************

     Mode symmetry, D_3d (-3m)  point group:

     freq (  1 -  2) =        -19.2  [cm-1]   --> E_u  L_3'       I  
     freq (  3 -  3) =         45.1  [cm-1]   --> A_2u L_2'       I  
     freq (  4 -  5) =        235.4  [cm-1]   --> E_u  L_3'       I  
     freq (  6 -  6) =        386.1  [cm-1]   --> A_2u L_2'       I  
     freq (  7 -  8) =        475.9  [cm-1]   --> E_g  L_3        R  
     freq (  9 - 10) =        530.4  [cm-1]   --> E_u  L_3'       I  
     freq ( 11 - 11) =        565.2  [cm-1]   --> A_2u L_2'       I  
     freq ( 12 - 12) =        571.4  [cm-1]   --> A_1g L_1        R  
 
     PHONON       :   2m49.31s CPU   2m52.96s WALL

     INITIALIZATION: 
     phq_setup    :      0.03s CPU      0.03s WALL (       1 calls)
     phq_init     :     20.31s CPU     20.61s WALL (       1 calls)
 
     phq_init     :     20.31s CPU     20.61s WALL (       1 calls)
     set_drhoc    :      0.20s CPU      0.20s WALL (       3 calls)
     init_vloc    :      0.02s CPU      0.02s WALL (       1 calls)
     init_us_1    :      0.14s CPU      0.15s WALL (       1 calls)
     newd         :      0.01s CPU      0.01s WALL (       1 calls)
     dvanqq       :      0.13s CPU      0.13s WALL (       1 calls)
     drho         :      0.61s CPU      0.62s WALL (       1 calls)
     cmpt_qdipol  :      0.00s CPU      0.00s WALL (       1 calls)
 
     DIELECTRIC CONSTANT AND EFFECTIVE CHARGES:
     solve_e      :     30.45s CPU     31.22s WALL (       1 calls)
     dielec       :      0.00s CPU      0.00s WALL (       1 calls)
     zstar_eu     :      4.78s CPU      4.87s WALL (       1 calls)
 
     DYNAMICAL MATRIX:
     dynmat0      :     18.64s CPU     18.93s WALL (       1 calls)
     phqscf       :    112.04s CPU    114.48s WALL (       1 calls)
     dynmatrix    :      0.00s CPU      0.00s WALL (       1 calls)
 
     phqscf       :    112.04s CPU    114.48s WALL (       1 calls)
     solve_linter :    103.27s CPU    105.65s WALL (       8 calls)
     drhodv       :      0.08s CPU      0.08s WALL (       8 calls)
 
     dynmat0      :     18.64s CPU     18.93s WALL (       1 calls)
     dynmat_us    :      0.03s CPU      0.03s WALL (       1 calls)
     d2ionq       :      0.00s CPU      0.00s WALL (       1 calls)
     dynmatcc     :      0.16s CPU      0.17s WALL (       1 calls)
 
     dynmat_us    :      0.03s CPU      0.03s WALL (       1 calls)
     addusdynmat  :      0.00s CPU      0.00s WALL (       1 calls)
 
     phqscf       :    112.04s CPU    114.48s WALL (       1 calls)
     solve_linter :    103.27s CPU    105.65s WALL (       8 calls)
 
     solve_linter :    103.27s CPU    105.65s WALL (       8 calls)
     dvqpsi_us    :      1.53s CPU      1.57s WALL (     312 calls)
     ortho        :      0.22s CPU      0.24s WALL (    1391 calls)
     cgsolve      :    104.26s CPU    106.68s WALL (    1391 calls)
     incdrhoscf   :      5.41s CPU      5.52s WALL (    1391 calls)
     addusddens   :      1.17s CPU      1.18s WALL (      68 calls)
     vpsifft      :      3.52s CPU      3.60s WALL (     923 calls)
     dv_of_drho   :      1.35s CPU      1.36s WALL (     107 calls)
     mix_pot      :      0.19s CPU      0.29s WALL (      67 calls)
     psymdvscf    :      7.41s CPU      7.40s WALL (      60 calls)
     newdq        :      1.62s CPU      1.65s WALL (      67 calls)
     adddvscf     :      0.13s CPU      0.11s WALL (    1157 calls)
     drhodvus     :      0.01s CPU      0.01s WALL (       8 calls)
 
     dvqpsi_us    :      1.53s CPU      1.57s WALL (     312 calls)
     dvqpsi_us_on :      0.29s CPU      0.30s WALL (     312 calls)
 
     cgsolve      :    104.26s CPU    106.68s WALL (    1391 calls)
     ch_psi       :    102.54s CPU    105.09s WALL (   38748 calls)
 
     ch_psi       :    102.54s CPU    105.09s WALL (   38748 calls)
     h_psi        :     96.89s CPU     99.14s WALL (   38748 calls)
     last         :      4.45s CPU      4.49s WALL (   38748 calls)
 
     h_psi        :     96.89s CPU     99.14s WALL (   38748 calls)
     add_vuspsi   :      0.87s CPU      0.94s WALL (   38748 calls)
 
     incdrhoscf   :      5.41s CPU      5.52s WALL (    1391 calls)
     addusdbec    :      0.15s CPU      0.14s WALL (    1547 calls)
 
     drhodvus     :      0.01s CPU      0.01s WALL (       8 calls)
 
     dnsq_bare    :      0.09s CPU      0.09s WALL (       1 calls)
     dwfc         :      0.11s CPU      0.15s WALL (  112411 calls)
     swfc         :      4.32s CPU      4.70s WALL (   90285 calls)
     delta_sphi   :      4.59s CPU      4.53s WALL (   25740 calls)
     dnsq_orth    :      0.67s CPU      0.67s WALL (       1 calls)
     d2nsq_bare_k :     18.27s CPU     18.53s WALL (   15210 calls)
     dnsq_scf     :      0.05s CPU      0.07s WALL (      58 calls)
     adddvhubscf  :      0.23s CPU      0.23s WALL (    1625 calls)
     dynmat_hub_b :     18.45s CPU     18.73s WALL (       1 calls)
     dvqhub_barep :      2.23s CPU      2.26s WALL (     104 calls)
     dvqhub_barep :      2.23s CPU      2.26s WALL (     104 calls)
     dynmat_hub_s :      8.66s CPU      8.72s WALL (       8 calls)
     doubleprojqq :     19.79s CPU     19.74s WALL (  228228 calls)
     doubleprojqq :     19.79s CPU     19.74s WALL (  228228 calls)
 
      General routines
     calbec       :      7.40s CPU      7.52s WALL (  214056 calls)
     fft          :      4.62s CPU      4.75s WALL (    2309 calls)
     ffts         :      0.12s CPU      0.13s WALL (     644 calls)
     fftw         :     99.59s CPU     98.05s WALL (  926100 calls)
     davcio       :      0.22s CPU      0.41s WALL (   51773 calls)
     write_rec    :      0.12s CPU      0.23s WALL (      75 calls)
 
 
     PHONON       :   2m49.31s CPU   2m52.96s WALL

 
   This run was terminated on:  14:54: 3  23Nov2018            

=------------------------------------------------------------------------------=
   JOB DONE.
=------------------------------------------------------------------------------=
