Program PWSCF v.6.7MaX starts on 28Aug2021 at 19:22:54 

     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     2 processors

     MPI processes distributed on     1 nodes
     R & G space division:  proc/nbgrp/npool/nimage =       2
     Waiting for input...
     Reading input from standard input
     Message from routine read_cards :
     DEPRECATED: no units specified in CELL_PARAMETERS card

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3
     file C.pbe-rrkjus.UPF: wavefunction(s)  2S 2P renormalized

     gamma-point specific algorithms are used

     Subspace diagonalization in iterative solution of the eigenvalue problem:
     a serial algorithm will be used

     Message from routine setup:
     using ibrav=0 with symmetry is DISCOURAGED, use correct ibrav instead

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          15      15      3                   55       55       7
     Max          16      16      4                   58       58       8
     Sum          31      31      7                  113      113      15



     bravais-lattice index     =            0
     lattice parameter (alat)  =       3.5737  a.u.
     unit-cell volume          =       6.6826 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=            4
     kinetic-energy cutoff     =      24.0000  Ry
     charge density cutoff     =      96.0000  Ry
     scf convergence threshold =      1.0E-08
     mixing beta               =       0.7000
     number of iterations used =            8  plain     mixing
     energy convergence thresh.=      1.0E-04
     force convergence thresh. =      1.0E-03
     Exchange-correlation= SLA  PW   PBE  PBE
                           (   1   4   3   4   0   0   0)
     nstep                     =           50


     celldm(1)=   3.573710  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.418330   0.000000   0.418330 )  
               a(2) = (   0.000000   0.418330   0.418330 )  
               a(3) = (  -0.418330   0.418330   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.195229 -1.195229  1.195229 )  
               b(2) = (  1.195229  1.195229  1.195229 )  
               b(3) = ( -1.195229  1.195229 -1.195229 )  


     PseudoPot. # 1 for C  read from file:
     /home/tarek/software/q-e-qe-6.7.0/pseudo/C.pbe-rrkjus.UPF
     MD5 check sum: c9ac5a99bc85b198593446162950cd17
     Pseudo is Ultrasoft, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  627 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        C              4.00    12.01070     C ( 1.00)

     48 Sym. Ops., with inversion, found (24 have fractional translation)



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (  -0.6274950   0.6274950   0.6274950  )
         2           C   tau(   2) = (  -0.4183300   0.4183300   0.4183300  )

     number of k points=     1
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000

     Dense  grid:       57 G-vectors     FFT dimensions: (   8,   8,   8)

     Estimated max dynamical RAM per process >       0.28 MB

     Estimated total dynamical RAM >       0.55 MB

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine memory_report (1):
     more bands than PWs!
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...