
     Program ppacf v.6.4.1 starts on  7Jun2019 at  8:27:30 

     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


     entering subroutine acf ...



     %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     %                                                                      %
     % You are using PPACF, please cite the following paper:                %
     %                                                                      %
     %   Y. Jiao, E. Schr\"oder, and P. Hyldgaard, PRB 97, 085115 (2018).   %
     %                                                                      %
     % If you are using this code for hybrid mixing value, please also cite:%
     %                                                                      %
     %   Y. Jiao, E. Schr\"oder, and P. Hyldgaard, JCP 148, 194115 (2018).  %
     %                                                                      %
     %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%



     Reading data from directory:
     ./atomns.save/

     IMPORTANT: XC functional enforced from input :
     Exchange-correlation      = VDW-DF-CX ( 1  4 27  0 1 0)
     Any further DFT definition will be discarded
     Please, verify this is what you really want

 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         111     111     33                 7185     7185    1187
     Max         112     112     34                 7194     7194    1196
     Sum         889     889    265                57493    57493    9545
 


     %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     %                                                                      %
     % You are using vdW-DF, which was implemented by the Thonhauser group. %
     % Please cite the following two papers that made this development      %
     % possible and the two reviews that describe the various versions:     %
     %                                                                      %
     %   T. Thonhauser et al., PRL 115, 136402 (2015).                      %
     %   T. Thonhauser et al., PRB 76, 125112 (2007).                       %
     %   K. Berland et al., Rep. Prog. Phys. 78, 066501 (2015).             %
     %   D.C. Langreth et al., J. Phys.: Condens. Matter 21, 084203 (2009). %
     %                                                                      %
     %                                                                      %
     % If you are calculating the stress with vdW-DF, please also cite:     %
     %                                                                      %
     %   R. Sabatini et al., J. Phys.: Condens. Matter 24, 424209 (2012).   %
     %                                                                      %
     %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%




     ACF coupling-constant  Exc_lambda (Ry)  E_c,lambda^LDA (Ry)  E_c,lambda^nl (Ry)

       0.00000000     -12.42812297       0.00000000       0.00000000
       1.00000000     -14.97792097      -2.80295714       0.25315915
     Ec_nl(n_1/lambda): 
       1.00000000       0.14797433
                        Exchange     -12.42812297 Ry
                    LDA Exchange     -12.15999739 Ry
                     Correlation      -1.60767643 Ry
                 LDA Correlation      -1.75565076 Ry
                          E_c^nl       0.14797433 Ry
          Exchange + Correlation     -14.03579940 Ry
                         T_c^LDA       1.04730638 Ry
                          T_c^nl      -0.10518482 Ry
      Kinetic-correlation Energy       0.94212156 Ry
      Non-local energy :   0.147974325489268     
      Summation of ecnl:   0.147974325489262     
      Summation of tcnl:  -0.105184821862101     
     Starting wfcs from file
     EXX fraction changed:   1.00

     IMPORTANT: XC functional enforced from input :
     Exchange-correlation      = VDW-DF-CX ( 1  4 27  0 1 0)
     EXX-fraction              =        1.00
     Any further DFT definition will be discarded
     Please, verify this is what you really want

     EXX: setup a grid of 600 q-points centered on each k-point
     (set verbosity='high' to see the list)

     Using ACE for calculation of exact exchange

     EXX grid:     9545 G-vectors     FFT dimensions: (  20,  20,  54)
     Fock energy               =     -12.62237879 Ry

     Calling punch_plot, plot_num =   2
     Writing data to file  atomns.exlda

     Calling punch_plot, plot_num =   2
     Writing data to file  atomns.eclda

     Calling punch_plot, plot_num =   2
     Writing data to file  atomns.tclda

     Calling punch_plot, plot_num =   2
     Writing data to file  atomns.exgc

     Calling punch_plot, plot_num =   2
     Writing data to file  atomns.ecnl

     Calling punch_plot, plot_num =   2
     Writing data to file  atomns.tcnl

     Calling punch_plot, plot_num =   2
     Writing data to file  atomns.vcnl


     exiting subroutine acf ...

 
     ppacf        :  41m 3.57s CPU  42m58.63s WALL

 
   This run was terminated on:   9:10:29   7Jun2019            

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