 &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&
 & This job was run on not implemented
 & This job was run on host: not implemented
 & ============================================================ &
 &                                                              &
 &  Welcome to:                                                 &
 &                                                              &
 &                          D A C A P O                         &
 &                                                              &
 &  The plane wave - pseudopotential program                    &
 &                                                              &
 &  Version:                                                    &
 &    $Name: dacapo-2.7.7  $ ($Date: 2004/11/19 13:51:35 $)     &
 &                                                              &
 & ============================================================ &
 &                                                              &
 &   Recent contributors:                                       &
 &                                                              &
 &   2002-  J. Rossmeisl   (Electrostatic Decoupling)           &
 &   1999-  A. Christensen (Fortran90 modularization,           &
 &                          netCDF interface )                  &
 &   1999-  T. Bligaard    (Fortran90)                          &
 &   1996   Y. Morikawa    (Constrained dynamics)               &
 &   1996   A.C.E.Madsen   (MD min)                             &
 &   1996-  L.B.Hansen     (core corr.)                         &
 &   1996   L.Bengtsson    (fast selfconsis. occ.s,             &
 &                          power expansion method)             &
 &   1995   J.J.Mortensen  (selfconsis. GGA)                    &
 &   1995-  O.H.Nielsen    (parallellization + opt.)            &
 &   1990-  B.Hammer                                            &
 &                                                              &
 &
 &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&
  
  
 FILE_IO: Reading netCDF formatted input from file: out.nc
 FILE_IO: Writing netCDF formatted output to file out.nc
 FILE_IO: Attempting to use same file for netCDF input/output
 FILE_IO: Stopfilename: stop
  
 Structure: lattice scaling factor =   1.00000000
 Structure:-----------------------------------------------------------
 Structure: unit cell A            (lattice vectors coloumnwise) :
 Structure:             A1           A2            A3
 Structure:  x     2.12695839   -2.12695839    0.00000000 Angstroem
 Structure:  y     1.22800000    1.22800000    0.00000000 Angstroem
 Structure:  z     0.00000000    0.00000000   19.64800000 Angstroem
 Structure:-----------------------------------------------------------
 Structure: recipical unit cell B  (vectors coloumnwise, A B^t = 2 Pi)
 Structure:             B1           B2            B3
 Structure: kx     1.47703531   -1.47703531    0.00000000 1/Angstroem
 Structure: ky     2.55830021    2.55830021    0.00000000 1/Angstroem
 Structure: kz     0.00000000    0.00000000    0.31978753 1/Angstroem
 Structure:-----------------------------------------------------------
 Structure: Number of atoms (nions)           :     2
 Structure: Number of different atoms (nspec) :     1
 Structure: Internal atom mapping: -> ALL INFO IN THIS FILE REFERS TO THIS ATOM ORDER <-
 Structure:   atom#  <->  (species, number)
 Structure:     1              1      1
 Structure:     2              1      2

 Structure:-------------------------------------------------------------------------
 Structure:  >>         Ionic positions in scaled coordinates (u,v,w)             <<
 Structure:  atom#   Z        u            v            w         motion constraints
 Structure:-------------------------------------------------------------------------
 Structure:    1     6    0.33333333   0.66666667   0.50000000   1.000  1.000  1.000
 Structure:    2     6    0.66666667   0.33333333   0.50000000   1.000  1.000  1.000
 Structure:-------------------------------------------------------------------------
 Structure:-------------------------------------------------------------------------
 Structure:  >>         Ionic positions/velocities in cartesian coordinates       <<
 Structure:  atom#   Z        x            y            z          initial velocity 
 Structure:                           [Angstroem]                  [Angstroem/fs]   
 Structure:-------------------------------------------------------------------------
 Structure:    1     6   -0.70898613   1.22800000   9.82400000   0.000  0.000  0.000
 Structure:    2     6    0.70898613   1.22800000   9.82400000   0.000  0.000  0.000
 Structure:-------------------------------------------------------------------------
 Structure: 
 Structure: Minimum distance between any two atoms (Angstroem) :  1.418
 Structure: Mimimum distance found between atom  1 and atom  2 (for box repetition   0  0  0)
 Structure: 

 Structure: no spherical constrained pair was found
  
  
 tmp_read: ------------------------- input summary -------------------------
 tmp_read: nspin  =    1 (spin polarized calc = 2)
 tmp_read: nbands =   16 (bands in calculation)
 tmp_read: iscxc  =    3 [ XC Functional = PW91 (Perdew Wang 91)         GGA]
 tmp_read: nsymax =    0 (maximum number of symmetries applied)
 tmp_read: idebug =    0 (debugging level)
 tmp_read: ------------------------------------------------------------------


 PAD: ecut (wave function cutoff) =     600.0000 eV
 FFT: Double grid used
 PAD: ecut (wave function cutoff) =     600.0000 eV
 PAD: ecut (dense grid cutoff)    =     600.0000 eV
 PAD: minimum grid enclosing the sphere G^2 < 4*E_cut(WaweFct):  20x 20x158
 PAD: Number of G-vectors (ngdens) below 4*ecut :         27301
 PAD: minimum grid enclosing the sphere G^2 < 4*E_cut(Density):  20x 20x158
 PAD: Number of G-vectors (ngdens) below 4*ecut :         27301
 FFT: Using default minimum soft grid ( 20x 20x160)
 FFT: Using default minimum dense grid ( 20x 20x160)
 SYM: There are            24  point operations in the lattice point group
 SYM: There are            24  point operations in the space group
 SYM: The identity:                 1
 SYM: Number of 2-fold operations: 15
 SYM: Number of 3-fold operations:  2
 SYM: Number of 6-fold operations:  6
 SYM: Needed are             4  generators:
 SYM: The generator #  1 could not be used
 SYM: The generator #  2 could not be used
 SYM: The generator #  3 could not be used
 SYM: The generator #  4 could not be used
 SYM: Increase nsymax from:  0 to:   5 in order to use all symmetries
 SYM: The inversion is not contained in the space group
 SYM: The k-point set will be reduced via the time inversion symmetry
 SYM: 
 KPT:            21  BZ kpoints specified in file
 KPT: k-points in the irriducible Brillouin zone (nkprun) :   21
 KPT: ----------------------------------------------------------
 KPT: k-point      k-point in units of          k-point
 KPT: number      B1        B2       B3         weigth 
 KPT: ----------------------------------------------------------
 KPT:    1    0.000000  0.000000  0.000000    0.047619
 KPT:    2    0.041667  0.041667  0.000000    0.047619
 KPT:    3    0.083333  0.083333  0.000000    0.047619
 KPT:    4    0.125000  0.125000  0.000000    0.047619
 KPT:    5    0.166667  0.166667  0.000000    0.047619
 KPT:    6    0.208333  0.208333  0.000000    0.047619
 KPT:    7    0.250000  0.250000  0.000000    0.047619
 KPT:    8    0.291667  0.291667  0.000000    0.047619
 KPT:    9    0.050000  0.000000  0.000000    0.047619
 KPT:   10    0.100000  0.000000  0.000000    0.047619
 KPT:   11    0.150000  0.000000  0.000000    0.047619
 KPT:   12    0.200000  0.000000  0.000000    0.047619
 KPT:   13    0.250000  0.000000  0.000000    0.047619
 KPT:   14    0.300000  0.000000  0.000000    0.047619
 KPT:   15    0.350000  0.000000  0.000000    0.047619
 KPT:   16    0.400000  0.000000  0.000000    0.047619
 KPT:   17    0.450000  0.000000  0.000000    0.047619
 KPT:   18    0.500000  0.000000  0.000000    0.047619
 KPT:   19    0.444444  0.111111  0.000000    0.047619
 KPT:   20    0.388889  0.222222  0.000000    0.047619
 KPT:   21    0.333333  0.333333  0.000000    0.047619
 KPT: ----------------------------------------------------------
 KPT: 
 KPT: Chadi-Cohen asymptotic error estimate:  0.016717941772
 KPT: (see PRB 8, 5747 (1973); 13, 5188 (1976))
  
 KPT: nkpmem :             1
 PAD:
 PAD: Nominal # of PW  Average # of PW   Max # of PW
 PAD: for this cutoff  in k-point set    in  k-point set
 PAD:       3425.2861        3418.1011          3483
 PAD:
 PAD: Plane waves of E_kin below         44.10 Ryd =  600.00 eV accepted
 PAD: Effective E_kin for plane waves    44.04 Ryd =  599.16 eV
 call allocate_van_us_data
 setuop:  
 setuop:  ------ Task / iteration control ---------
 setuop:  
 setuop: Ion dynamics type  :  Static
 setuop: Internal ion dynamics method:  Static
 setuop: ConvergenceControl - niter  =       1000000 (max main loop iterations)
 setuop: ConvergenceControl - uppcpu =  100000000.00 hours (cpu time hard limit)
 setuop: ConvergenceControl - criteria for breaking electronic minimization:
 setuop: ConvergenceControl - Absolute energy convergence =  0.10D-04
 setuop: ConvergenceControl - Absolute density convergence =  0.10D-03
 setuop: ConvergenceControl - Absolute occupation convergence =  0.10D-02
 setuop: ConvergenceControl - Repeated convergences =     1
 setuop: ConvergenceControl - Max absolute force change   =      0.100000 eV/A
 setuop: ConvergenceControl - Max relative force change   =      0.050000  
 setuop: Using eigsolve to diag. the hamiltonian
 setuop: Occupation statistics type = FermiDirac
 setuop: FermiTemperature =      0.100000  eV
 setuop: ndiapb =             2 (diagonalizations per band)
 setuop: dipole correction: off
 setuop:  
 setuop:  ------ printout setup ---------
 setuop:  
 setuop: Print spatial quantity:  None
 setuop: Electronic work function not printed
 setuop: Atom projected DOS not printed
 setuop:  
 setuop:  ------ atomic characteristics -------
 setuop:  

 setuop: ----------------------------------------------------------------
 setuop: species  chemical  friction  dynamic mass
 setuop: number    symbol    [0..1]       [u]     
 setuop: ----------------------------------------------------------------
 setuop:    1         C     0.500000    3.000000
 setuop: ----------------------------------------------------------------
 PSP: pseudo-potential file for specie             1 :
 /usr/share/dacapo/psp/C_us_gga.pseudo

    ============================================================
    |  PSEUDOPOTENTIAL REPORT FOR ATOMIC SPECIES:  1           |
    |        pseudo potential version   7   0   0              |
    ------------------------------------------------------------
    |  C  (US d-loc)        Perdew Wang 1991    EXCHANGE-CORR  |
    |  Z(nuclear) =   6.    Z(valence)( 1) =   4.              |
    |  Non linear core correction included:  no                |
    |  Core radius non lin core corr.(RPCOR) =   0.00000   a.u.|
    |  ATOMIC ENERGY =  -10.746116094 Ry                       |
    |  Self consistent all electron atomic config:             |
    |  INDEX    ORBITAL      OCCUPATION      ENERGY(Ry)        |
    |    1        200           2.00      -1.013156182         |
    |    2        210           2.00      -0.392915849         |
    |  Radii for conservation of augmentation charge moments:  |
    |  RINNER(a.u.) =   0.6000  0.6000  0.6000
    |  (see Phys Rev B 47 10142 (1993), Eq.28)                 |
    |  NEW GENERATION SCHEME:                                  |
    |  Partial wave set used to generate projectors:           |
    |  Number of radial partial waves (NBETA) =      4         |
    |  Number of radial gridpts per wave (KKBETA) =    569     |
    |  Pseudiz. radius for the local pspot (RCLOC) =  1.54 a.u.|
    |  Partial wave set for generating the pseudopot:          |
    |    IBETA   L        EPSILON(Ry)   RCUT(a.u.)             |
    |      1     0      -1.013156180     1.50                  |
    |      2     0      -0.392917947     1.50                  |
    |      3     1      -1.013156180     1.54                  |
    |      4     1      -0.392917947     1.54                  |
    ============================================================
 Number of different projectors :             8
 Number of projectors :            16
 PSP:                       Valence-Z            4.0000
 PSP:                       Core-alpha          26.7193
 setuop: Unit cell is charge neutral
 setuop: Unit cell contains:     8.000000 electrons
 setuop:   
 setuop: netCDF output control
 setuop: Output WaveFunction to NetCDF file
 setuop: Output ChargeDensity to NetCDF file
 setuop: Eff. Potential written to NetCDF file after convergence
 setuop: Electrostatic potential written to NetCDF file after convergence
 setuop: Stress tensor is not written to NetCDF file
 setuop: ----------------------------------------------------------------
 WFG: wavefunction array type = complex*16

 density_mixing: Updating charge using Pulay mixing
 density_mixing: ChargeMixing method : 
 density_mixing: Pulay               
 density_mixing: noldrd =   10 (charge mixing history)
 density_mixing: denmix =      0.100000 (Pulay mixing coefficient)
 density_mixing: GvectorFactor     1.000000
 density_mixing: Using linear mixing (No Kerker preconditioning)
 DAM     3366       0.011236      17.239835       1.116654
 WFG: could not read wave-function from netCDF set 
 WFG: assumes this is a new calculation
 FFTW : Setup grid 1           20           20          160
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
 WFG:             8 atomic wavefunctions used to initialize wavefunctions
 WFG: Setup initial potential
 WFG: Start loop over atoms
 WFG: init wavefunction nsp =             1 natm =             1
 WFG: init wavefunction nsp =             1 natm =             2
------------------------------------------------------------------
>>>>>>>>>>>>>>>>>>>> MAIN LOOP ITERATION    1 <<<<<<<<<<<<<<<<<<<<
------------------------------------------------------------------
 damden: setup new d-matrix
 TR2   -180.239716      0.000000   -290.230811  -1487.035656     27.623551      0.000000   1275.007158      4.165231      0.000000   -290.230811    290.230811   1487.035656    -91.369293      0.000000   -180.239716   -180.239716      0.000000
 EIGSLV: Eigsolve was called with the following parameter:
 EIGSLV:     lgenev:           T
 EIGSLV:     n:                       3367
 EIGSLV:     m:                         16
 EIGSLV:     ldpsi:                   3483
 EIGSLV:     blocksize:                 16
 EIGSLV:     maxiter:                    2
 EIGSLV:     max subsp. dim:            32
 EIGSLV:     tolerance:         1.0000000000000000E-004
 TR0      E(free)      E(kin)       E(pot)       E(hac)       E(xcc)       E(vnl)       E(ewa)       E(alp)       E(eig)       E(ext)       E(zero)      E(tot)       E(dipc)
 EXC     Exc_pz       Exc_gga      Exc_vwn      Exc_pbe    Exc_revPBE     Exc_RPBE
 TR1   -311.083206    178.997885   -290.230811  -1487.035656     27.623551      0.000000   1275.007158      4.165231   -130.830286      0.000000   -311.076604   -311.070001      0.000000
 EXC    -90.471063    -91.369293    -90.454587    -91.050136    -91.195118    -91.234755
 TOT:  CPU time                  Total energy
 TOT:                   LDA            GGA            LDA
 TOT:             PerdewZunger   PerdewWang91      VosWilNus
 TOT:  CPU time   non-selfcons       selfcons   non-selfcons
 TOT:   seconds          eV             eV             eV
 DFT:  CPU time                           Total energy
 DFT:                 LDA            GGA-II           PBE         revPBE          RPBE98       
 DFT:             VoskoWilkNus   PerdewWang91   PerdewBurkeE   PBE_kap=1.245  PBE_0.804exp   
 DFT:  CPU time   non-selfcons       selfcons   non-selfcons   non-selfcons   non-selfcons
 DFT:   seconds          eV             eV             eV             eV            eV   
 TOT:      46.1      -310.1784      -311.0766      -310.1619
 DFT:      46.1      -310.1619      -311.0766      -310.7574      -310.9024      -310.9421
 FOR:  Ion    F_x      F_y      F_z
 FOR:   #     eV/A     eV/A     eV/A
 FOR:   1   2.9078637   3.3669926  -0.0005510
 FOR:   2  -2.9078637  -3.3669925   0.0005510
 convergence:    
 convergence:                Change in
 convergence:       Density       Occup.     Energy    |F|      dF/F    |Abs. force|
 convergence:      0.000000     0.000000  -311.070001248   6.292   1.000   6.292
------------------------------------------------------------------
>>>>>>>>>>>>>>>>>>>> MAIN LOOP ITERATION    2 <<<<<<<<<<<<<<<<<<<<
------------------------------------------------------------------
 DAM:   0      44.691685
 damden: setup new d-matrix
 TR1   -310.724627    178.370911   -287.935881  -1492.304200     27.803366      0.000000   1275.007158      4.165231   -125.382981      0.000000   -310.718027   -310.711427      0.000000
 EXC    -91.048576    -91.968210    -91.036744    -91.050136    -91.195118    -91.234755
 TOT:      53.9      -309.7984      -310.7180      -309.7866
 DFT:      53.9      -309.7866      -310.7180      -309.8000      -309.9449      -309.9846
 FOR:   1   0.0000000   0.0000000   0.0000000
 FOR:   2   0.0000000   0.0000000   0.0000000
 convergence:     44.691685     0.006775     0.358574617   6.292   0.000   0.000
------------------------------------------------------------------
>>>>>>>>>>>>>>>>>>>> MAIN LOOP ITERATION    3 <<<<<<<<<<<<<<<<<<<<
------------------------------------------------------------------
 DAM:   1      35.641880
 damden: setup new d-matrix
 TR1   -309.796018    169.378446   -267.042708  -1534.633869     29.332453      0.000000   1275.007158      4.165231    -83.654007      0.000000   -309.789526   -309.783033      0.000000
 EXC    -96.096591    -97.383663    -96.095100    -91.050136    -91.195118    -91.234755
 TOT:      61.6      -308.5025      -309.7895      -308.5010
 DFT:      61.6      -308.5010      -309.7895      -303.4560      -303.6010      -303.6406
 FOR:   1   0.0000000   0.0000000   0.0000000
 FOR:   2   0.0000000   0.0000000   0.0000000
 convergence:     35.641880     0.040080     0.928393376   0.000   0.000   0.000
------------------------------------------------------------------
>>>>>>>>>>>>>>>>>>>> MAIN LOOP ITERATION    4 <<<<<<<<<<<<<<<<<<<<
------------------------------------------------------------------
 DAM:   2       2.501171
 damden: setup new d-matrix
 TR1   -309.715396    172.541006   -275.502500  -1518.630662     28.744486      0.000000   1275.007158      4.165231    -98.988528      0.000000   -309.708855   -309.702314      0.000000
 EXC    -94.154193    -95.288858    -94.149205    -91.050136    -91.195118    -91.234755
 TOT:      69.3      -308.5742      -309.7089      -308.5692
 DFT:      69.3      -308.5692      -309.7089      -305.4701      -305.6151      -305.6548
 FOR:   1   0.0000000   0.0000000   0.0000000
 FOR:   2   0.0000000   0.0000000   0.0000000
 convergence:      2.501171     0.011759     0.080718883   0.000   0.000   0.000
------------------------------------------------------------------
>>>>>>>>>>>>>>>>>>>> MAIN LOOP ITERATION    5 <<<<<<<<<<<<<<<<<<<<
------------------------------------------------------------------
 DAM:   3       2.352980
 damden: setup new d-matrix
 TR1   -309.693726    171.547020   -273.621424  -1522.738090     28.949959      0.000000   1275.007158      4.165231    -95.064932      0.000000   -309.687200   -309.680673      0.000000
 EXC    -94.852335    -96.061290    -94.847610    -91.050136    -91.195118    -91.234755
 TOT:      77.0      -308.4782      -309.6872      -308.4735
 DFT:      77.0      -308.4735      -309.6872      -304.6760      -304.8210      -304.8607
 FOR:   1   0.0000000   0.0000000   0.0000000
 FOR:   2   0.0000000   0.0000000   0.0000000
 convergence:      2.352980     0.003856     0.021640958   0.000   0.000   0.000
------------------------------------------------------------------
>>>>>>>>>>>>>>>>>>>> MAIN LOOP ITERATION    6 <<<<<<<<<<<<<<<<<<<<
------------------------------------------------------------------
 DAM:   4       0.001693
 damden: setup new d-matrix
 TR1   -309.693695    171.461880   -273.436388  -1523.067805     28.962114      0.000000   1275.007158      4.165231    -94.747341      0.000000   -309.687169   -309.680642      0.000000
 EXC    -94.892475    -96.105127    -94.887815    -95.724982    -95.919739    -95.979903
 TOT:      85.0      -308.4745      -309.6872      -308.4699
 DFT:      85.0      -308.4699      -309.6872      -309.3070      -309.5018      -309.5619
 FOR:   1   3.9173679   4.3131730  -0.0000452
 FOR:   2  -3.9173679  -4.3131730   0.0000452
 convergence:      0.001693     0.000010     0.000031446   8.240   1.000   8.240
------------------------------------------------------------------
>>>>>>>>>>>>>>>>>>>> MAIN LOOP ITERATION    7 <<<<<<<<<<<<<<<<<<<<
------------------------------------------------------------------
 DAM:   5       0.001887
 damden: setup new d-matrix
 TR1   -309.693676    171.486261   -273.213303  -1523.156321     28.958187      0.000000   1275.007158      4.165231    -94.654856      0.000000   -309.687138   -309.680601      0.000000
 EXC    -94.877064    -96.087946    -94.872314    -95.708192    -95.903407    -95.963170
 TOT:      93.1      -308.4763      -309.6871      -308.4715
 DFT:      93.1      -308.4715      -309.6871      -309.3074      -309.5026      -309.5624
 FOR:   1   3.8322719   4.2219267  -0.0000071
 FOR:   2  -3.8322719  -4.2219267   0.0000072
 convergence:      0.001887     0.002901     0.000041311   0.176   0.022   8.064
------------------------------------------------------------------
>>>>>>>>>>>>>>>>>>>> MAIN LOOP ITERATION    8 <<<<<<<<<<<<<<<<<<<<
------------------------------------------------------------------
 DAM:   6       0.001064
 damden: setup new d-matrix
 TR1   -309.693670    171.463673   -273.242835  -1523.205950     28.961475      0.000000   1275.007158      4.165231    -94.608517      0.000000   -309.687136   -309.680603      0.000000
 EXC    -94.888501    -96.100133    -94.883791    -95.720348    -95.915490    -95.975407
 TOT:     101.3      -308.4755      -309.6871      -308.4708
 DFT:     101.3      -308.4708      -309.6871      -309.3074      -309.5025      -309.5624
 FOR:   1   3.8642764   4.2570656  -0.0000054
 FOR:   2  -3.8642764  -4.2570656   0.0000055
 convergence:      0.001064     0.001037    -0.000002148   0.067   0.008   8.131
------------------------------------------------------------------
>>>>>>>>>>>>>>>>>>>> MAIN LOOP ITERATION    9 <<<<<<<<<<<<<<<<<<<<
------------------------------------------------------------------
 DAM:   7       0.000057
 damden: setup new d-matrix
 TR1   -309.693669    171.464273   -273.244664  -1523.203917     28.961423      0.000000   1275.007158      4.165231    -94.610501      0.000000   -309.687137   -309.680606      0.000000
 EXC    -94.888390    -96.100090    -94.883679    -95.720326    -95.915520    -95.975462
 TOT:     109.3      -308.4754      -309.6871      -308.4707
 DFT:     109.3      -308.4707      -309.6871      -309.3074      -309.5026      -309.5625
 FOR:   1   3.8817643   4.2782563   0.0000037
 FOR:   2  -3.8817643  -4.2782563  -0.0000037
 TOT:      stopping    0.000003
 convergence:      0.000057     0.000525    -0.000002886   0.039   0.005   8.170
 ANALYSIS PART OF CODE
 EIG   Nb  Nkpt   Eigen value      Occupation 
 EIG   1   1    -19.5723201764    2.0000000000
 EIG   2   1     -7.7161134272    2.0000000000
 EIG   3   1     -3.1545766911    2.0000000000
 EIG   4   1     -2.9858369779    2.0000000000
 EIG   5   1      3.3067187125    0.0000000000
 EIG   6   1      4.2341502792    0.0000000000
 EIG   7   1      4.4225596841    0.0000000000
 EIG   8   1      5.3911280604    0.0000000000
 EIG   9   1      5.9023586993    0.0000000000
 EIG  10   1      7.5973898947    0.0000000000
 EIG  11   1      8.2733786377    0.0000000000
 EIG  12   1      8.3656994270    0.0000000000
 EIG  13   1      8.4197764099    0.0000000000
 EIG  14   1     10.7501499074    0.0000000000
 EIG  15   1     11.5723476369    0.0000000000
 EIG  16   1     11.6009119658    0.0000000000
 EIG   1   2    -19.4487067428    2.0000000000
 EIG   2   2     -7.5674560688    2.0000000000
 EIG   3   2     -3.6251956708    2.0000000000
 EIG   4   2     -3.2705780401    2.0000000000
 EIG   5   2      3.4744309478    0.0000000000
 EIG   6   2      4.4044700975    0.0000000000
 EIG   7   2      4.5952415990    0.0000000000
 EIG   8   2      5.5617460019    0.0000000000
 EIG   9   2      6.0733569569    0.0000000000
 EIG  10   2      7.7668975926    0.0000000000
 EIG  11   2      8.4368032037    0.0000000000
 EIG  12   2      8.5717325844    0.0000000000
 EIG  13   2      8.8203651753    0.0000000000
 EIG  14   2     10.9167483141    0.0000000000
 EIG  15   2     11.1400732041    0.0000000000
 EIG  16   2     11.7717531963    0.0000000000
 EIG   1   3    -19.0788542021    2.0000000000
 EIG   2   3     -7.1242379751    2.0000000000
 EIG   3   3     -4.8193863804    2.0000000000
 EIG   4   3     -4.0295897185    2.0000000000
 EIG   5   3      3.9777349937    0.0000000000
 EIG   6   3      4.9147086140    0.0000000000
 EIG   7   3      5.1133383447    0.0000000000
 EIG   8   3      6.0730199775    0.0000000000
 EIG   9   3      6.5866107437    0.0000000000
 EIG  10   3      8.2743619632    0.0000000000
 EIG  11   3      8.7280370416    0.0000000000
 EIG  12   3      9.0814389203    0.0000000000
 EIG  13   3      9.9545110970    0.0000000000
 EIG  14   3      9.9596594946    0.0000000000
 EIG  15   3     11.4141568369    0.0000000000
 EIG  16   3     12.2810443235    0.0000000000
 EIG   1   4    -18.4659504996    2.0000000000
 EIG   2   4     -6.3955279967    2.0000000000
 EIG   3   4     -6.3173399038    2.0000000000
 EIG   4   4     -5.1282084490    2.0000000000
 EIG   5   4      4.8161316275    0.0000000000
 EIG   6   4      5.7621210955    0.0000000000
 EIG   7   4      5.9768980162    0.0000000000
 EIG   8   4      6.9227581818    0.0000000000
 EIG   9   4      7.4423359705    0.0000000000
 EIG  10   4      8.3012761703    0.0000000000
 EIG  11   4      9.1156946344    0.0000000000
 EIG  12   4      9.2743894863    0.0000000000
 EIG  13   4      9.9241874527    0.0000000000
 EIG  14   4     10.9942440997    0.0000000000
 EIG  15   4     12.2299508399    0.0000000000
 EIG  16   4     13.1229432851    0.0000000000
 EIG   1   5    -17.6162085959    2.0000000000
 EIG   2   5     -7.8567559437    2.0000000000
 EIG   3   5     -6.4064742955    2.0000000000
 EIG   4   5     -5.3995324341    2.0000000000
 EIG   5   5      5.9869391137    0.0000000000
 EIG   6   5      6.4392844872    0.0000000000
 EIG   7   5      6.9393099778    0.0000000000
 EIG   8   5      7.1858167869    0.0000000000
 EIG   9   5      8.1051470125    0.0000000000
 EIG  10   5      8.6396916990    0.0000000000
 EIG  11   5     10.0910488671    0.0000000000
 EIG  12   5     10.2771594113    0.0000000000
 EIG  13   5     11.1034178909    0.0000000000
 EIG  14   5     11.7213198826    0.0000000000
 EIG  15   5     13.3101051079    0.0000000000
 EIG  16   5     14.2913067781    0.0000000000
 EIG   1   6    -16.5409593819    2.0000000000
 EIG   2   6     -9.3100260000    2.0000000000
 EIG   3   6     -7.7233166661    2.0000000000
 EIG   4   6     -4.1698540563    2.0000000000
 EIG   5   6      4.5743101035    0.0000000000
 EIG   6   6      7.4832214354    0.0000000000
 EIG   7   6      8.4195066539    0.0000000000
 EIG   8   6      8.7396987109    0.0000000000
 EIG   9   6      9.6001945379    0.0000000000
 EIG  10   6     10.1749193351    0.0000000000
 EIG  11   6     11.1432976875    0.0000000000
 EIG  12   6     11.6948991086    0.0000000000
 EIG  13   6     12.2923900893    0.0000000000
 EIG  14   6     12.6151709061    0.0000000000
 EIG  15   6     14.1761044704    0.0000000000
 EIG  16   6     15.7720075968    0.0000000000
 EIG   1   7    -15.2625552998    2.0000000000
 EIG   2   7    -10.6155214877    2.0000000000
 EIG   3   7     -8.9691185117    2.0000000000
 EIG   4   7     -2.7682946484    2.0000000000
 EIG   5   7      2.8313083513    0.0000000000
 EIG   6   7      9.2860035640    0.0000000000
 EIG   7   7     10.0448828362    0.0000000000
 EIG   8   7     10.6372999111    0.0000000000
 EIG   9   7     11.2978997752    0.0000000000
 EIG  10   7     12.0184183752    0.0000000000
 EIG  11   7     12.3422584868    0.0000000000
 EIG  12   7     12.7800643481    0.0000000000
 EIG  13   7     12.7927639691    0.0000000000
 EIG  14   7     14.3180956763    0.0000000000
 EIG  15   7     14.4398769724    0.0000000000
 EIG  16   7     17.4777305944    0.0000000000
 EIG   1   8    -13.8383411998    2.0000000000
 EIG   2   8    -11.7413724737    2.0000000000
 EIG   3   8    -10.0417481755    2.0000000000
 EIG   4   8     -1.3083771135    1.9999958426
 EIG   5   8      1.2855695635    0.0000052224
 EIG   6   8     10.7032902806    0.0000000000
 EIG   7   8     11.3196339862    0.0000000000
 EIG   8   8     12.8693050255    0.0000000000
 EIG   9   8     12.9931390920    0.0000000000
 EIG  10   8     13.0836910927    0.0000000000
 EIG  11   8     13.2666061645    0.0000000000
 EIG  12   8     14.0456973962    0.0000000000
 EIG  13   8     14.2451571018    0.0000000000
 EIG  14   8     16.0584079843    0.0000000000
 EIG  15   8     16.3225015812    0.0000000000
 EIG  16   8     16.5232706008    0.0000000000
 EIG   1   9    -19.5129685214    2.0000000000
 EIG   2   9     -7.6446829644    2.0000000000
 EIG   3   9     -3.3927407857    2.0000000000
 EIG   4   9     -3.1185850294    2.0000000000
 EIG   5   9      3.3872504805    0.0000000000
 EIG   6   9      4.3159241222    0.0000000000
 EIG   7   9      4.5054492812    0.0000000000
 EIG   8   9      5.4730421495    0.0000000000
 EIG   9   9      5.9844525773    0.0000000000
 EIG  10   9      7.6787839503    0.0000000000
 EIG  11   9      8.4079595746    0.0000000000
 EIG  12   9      8.4899588163    0.0000000000
 EIG  13   9      8.5408663042    0.0000000000
 EIG  14   9     10.8302118655    0.0000000000
 EIG  15   9     11.3619024926    0.0000000000
 EIG  16   9     11.6829786319    0.0000000000
 EIG   1  10    -19.3351316678    2.0000000000
 EIG   2  10     -7.4310104447    2.0000000000
 EIG   3  10     -4.0602256465    2.0000000000
 EIG   4  10     -3.4758781681    2.0000000000
 EIG   5  10      3.6288460661    0.0000000000
 EIG   6  10      4.5610911928    0.0000000000
 EIG   7  10      4.7541255885    0.0000000000
 EIG   8  10      5.7186589531    0.0000000000
 EIG   9  10      6.2307540038    0.0000000000
 EIG  10  10      7.9227363328    0.0000000000
 EIG  11  10      8.4818702470    0.0000000000
 EIG  12  10      8.7216808759    0.0000000000
 EIG  13  10      9.2820678071    0.0000000000
 EIG  14  10     10.7579620750    0.0000000000
 EIG  15  10     11.0701991483    0.0000000000
 EIG  16  10     11.9281998291    0.0000000000
 EIG   1  11    -19.0394792830    2.0000000000
 EIG   2  11     -7.0770798840    2.0000000000
 EIG   3  11     -5.0441058986    2.0000000000
 EIG   4  11     -3.9709244542    2.0000000000
 EIG   5  11      4.0313631744    0.0000000000
 EIG   6  11      4.9690707355    0.0000000000
 EIG   7  11      5.1685913258    0.0000000000
 EIG   8  11      6.1274766735    0.0000000000
 EIG   9  11      6.6411109073    0.0000000000
 EIG  10  11      8.3280159171    0.0000000000
 EIG  11  11      8.4836111785    0.0000000000
 EIG  12  11      9.1191496560    0.0000000000
 EIG  13  11      9.8302411523    0.0000000000
 EIG  14  11     10.4142154132    0.0000000000
 EIG  15  11     11.4686852815    0.0000000000
 EIG  16  11     12.3340028920    0.0000000000
 EIG   1  12    -18.6271752188    2.0000000000
 EIG   2  12     -6.5866794659    2.0000000000
 EIG   3  12     -6.2258677813    2.0000000000
 EIG   4  12     -4.5172499469    2.0000000000
 EIG   5  12      4.5943081380    0.0000000000
 EIG   6  12      5.5381133966    0.0000000000
 EIG   7  12      5.7488118739    0.0000000000
 EIG   8  12      6.6974977286    0.0000000000
 EIG   9  12      7.2144077024    0.0000000000
 EIG  10  12      8.3871919475    0.0000000000
 EIG  11  12      8.6406459787    0.0000000000
 EIG  12  12      8.9181265668    0.0000000000
 EIG  13  12      9.6838994076    0.0000000000
 EIG  14  12     11.8312868551    0.0000000000
 EIG  15  12     12.0234776285    0.0000000000
 EIG  16  12     12.8982678221    0.0000000000
 EIG   1  13    -18.0999704988    2.0000000000
 EIG   2  13     -7.5118066910    2.0000000000
 EIG   3  13     -5.9664095104    2.0000000000
 EIG   4  13     -5.0497583811    2.0000000000
 EIG   5  13      5.3166410145    0.0000000000
 EIG   6  13      6.2555588412    0.0000000000
 EIG   7  13      6.4946489790    0.0000000000
 EIG   8  13      7.2627405772    0.0000000000
 EIG   9  13      7.5111118406    0.0000000000
 EIG  10  13      7.9343464522    0.0000000000
 EIG  11  13      8.2417363281    0.0000000000
 EIG  12  13      9.6304399994    0.0000000000
 EIG  13  13     10.4131284822    0.0000000000
 EIG  14  13     12.7297004860    0.0000000000
 EIG  15  13     13.4401216874    0.0000000000
 EIG  16  13     13.6199687887    0.0000000000
 EIG   1  14    -17.4603914648    2.0000000000
 EIG   2  14     -8.8352547055    2.0000000000
 EIG   3  14     -5.5251227150    2.0000000000
 EIG   4  14     -5.2279888232    2.0000000000
 EIG   5  14      5.8713440336    0.0000000000
 EIG   6  14      6.1960299948    0.0000000000
 EIG   7  14      7.1955339984    0.0000000000
 EIG   8  14      7.4050638481    0.0000000000
 EIG   9  14      8.0217861450    0.0000000000
 EIG  10  14      8.3426863800    0.0000000000
 EIG  11  14      8.8732811887    0.0000000000
 EIG  12  14     10.5158545004    0.0000000000
 EIG  13  14     11.3046652110    0.0000000000
 EIG  14  14     13.5764181536    0.0000000000
 EIG  15  14     14.4970204929    0.0000000000
 EIG  16  14     15.1503829986    0.0000000000
 EIG   1  15    -16.7121862604    2.0000000000
 EIG   2  15    -10.1497712609    2.0000000000
 EIG   3  15     -5.9158223738    2.0000000000
 EIG   4  15     -4.3940678964    2.0000000000
 EIG   5  15      4.4728132342    0.0000000000
 EIG   6  15      7.2203371542    0.0000000000
 EIG   7  15      7.8613041568    0.0000000000
 EIG   8  15      8.2350875872    0.0000000000
 EIG   9  15      8.4870281511    0.0000000000
 EIG  10  15      9.3973948907    0.0000000000
 EIG  11  15      9.9351368891    0.0000000000
 EIG  12  15     11.5547148803    0.0000000000
 EIG  13  15     12.3560817697    0.0000000000
 EIG  14  15     14.5288534121    0.0000000000
 EIG  15  15     15.5069549907    0.0000000000
 EIG  16  15     15.6671103124    0.0000000000
 EIG   1  16    -15.8617997419    2.0000000000
 EIG   2  16    -11.4212719759    2.0000000000
 EIG   3  16     -6.2047655377    2.0000000000
 EIG   4  16     -3.5151803987    2.0000000000
 EIG   5  16      3.1535828370    0.0000000000
 EIG   6  16      7.6845459391    0.0000000000
 EIG   7  16      8.4528023496    0.0000000000
 EIG   8  16      9.4379306024    0.0000000000
 EIG   9  16      9.7284957431    0.0000000000
 EIG  10  16     10.6105358021    0.0000000000
 EIG  11  16     11.1627672037    0.0000000000
 EIG  12  16     12.7331868684    0.0000000000
 EIG  13  16     13.5627249806    0.0000000000
 EIG  14  16     14.4108237162    0.0000000000
 EIG  15  16     15.1682317930    0.0000000000
 EIG  16  16     16.5086516343    0.0000000000
 EIG   1  17    -14.9272275410    2.0000000000
 EIG   2  17    -12.6146741115    2.0000000000
 EIG   3  17     -6.3817312778    2.0000000000
 EIG   4  17     -2.7247690744    2.0000000000
 EIG   5  17      2.0866909321    0.0000000017
 EIG   6  17      7.6084967624    0.0000000000
 EIG   7  17      9.7792558695    0.0000000000
 EIG   8  17     10.7844954385    0.0000000000
 EIG   9  17     11.1362761424    0.0000000000
 EIG  10  17     11.9720388781    0.0000000000
 EIG  11  17     12.5478986657    0.0000000000
 EIG  12  17     12.8332797417    0.0000000000
 EIG  13  17     13.7198176487    0.0000000000
 EIG  14  17     14.1828100295    0.0000000000
 EIG  15  17     14.4444319273    0.0000000000
 EIG  16  17     14.9207878574    0.0000000000
 EIG   1  18    -14.1680846162    2.0000000000
 EIG   2  18    -13.4610749124    2.0000000000
 EIG   3  18     -6.4412869481    2.0000000000
 EIG   4  18     -2.3604144212    1.9999999999
 EIG   5  18      1.6282211142    0.0000001697
 EIG   6  18      7.5800346585    0.0000000000
 EIG   7  18     11.1682720531    0.0000000000
 EIG   8  18     11.3364506606    0.0000000000
 EIG   9  18     12.1283327617    0.0000000000
 EIG  10  18     12.3838978654    0.0000000000
 EIG  11  18     12.7063505004    0.0000000000
 EIG  12  18     12.7120631163    0.0000000000
 EIG  13  18     13.4032567620    0.0000000000
 EIG  14  18     13.5972074323    0.0000000000
 EIG  15  18     14.0828040609    0.0000000000
 EIG  16  18     14.1060649259    0.0000000000
 EIG   1  19    -13.9811197682    2.0000000000
 EIG   2  19    -13.2770586845    2.0000000000
 EIG   3  19     -7.3335122972    2.0000000000
 EIG   4  19     -2.0917889247    1.9999999984
 EIG   5  19      1.5558463677    0.0000003500
 EIG   6  19      8.8089863435    0.0000000000
 EIG   7  19     11.4180005729    0.0000000000
 EIG   8  19     11.6057594430    0.0000000000
 EIG   9  19     11.9910940674    0.0000000000
 EIG  10  19     12.6870625875    0.0000000000
 EIG  11  19     13.0104591421    0.0000000000
 EIG  12  19     13.0172898290    0.0000000000
 EIG  13  19     13.5450271715    0.0000000000
 EIG  14  19     13.9021770248    0.0000000000
 EIG  15  19     14.3627448679    0.0000000000
 EIG  16  19     14.3985699646    0.0000000000
 EIG   1  20    -13.4214740158    2.0000000000
 EIG   2  20    -12.7881930396    2.0000000000
 EIG   3  20     -9.2692595225    2.0000000000
 EIG   4  20     -1.2912592597    1.9999950664
 EIG   5  20      1.1343699303    0.0000236875
 EIG   6  20     11.0900772059    0.0000000000
 EIG   7  20     11.5893733290    0.0000000000
 EIG   8  20     12.1095691399    0.0000000000
 EIG   9  20     12.3846791583    0.0000000000
 EIG  10  20     13.5952693721    0.0000000000
 EIG  11  20     13.9182567597    0.0000000000
 EIG  12  20     13.9307641993    0.0000000000
 EIG  13  20     14.1966365277    0.0000000000
 EIG  14  20     14.8165599758    0.0000000000
 EIG  15  20     15.1364683788    0.0000000000
 EIG  16  20     15.2545790478    0.0000000000
 EIG   1  21    -12.7177602170    2.0000000000
 EIG   2  21    -12.4899566740    2.0000000000
 EIG   3  21    -10.6678829758    2.0000000000
 EIG   4  21     -0.0244895769    1.1218395592
 EIG   5  21      0.0244937091    0.8781400866
 EIG   6  21     10.5228458750    0.0000000000
 EIG   7  21     12.9015377267    0.0000000000
 EIG   8  21     12.9542037693    0.0000000000
 EIG   9  21     13.4838775198    0.0000000000
 EIG  10  21     15.1034197735    0.0000000000
 EIG  11  21     15.1389031099    0.0000000000
 EIG  12  21     15.3668466587    0.0000000000
 EIG  13  21     15.3768490610    0.0000000000
 EIG  14  21     15.4412826956    0.0000000000
 EIG  15  21     15.8437691663    0.0000000000
 EIG  16  21     15.9252889320    0.0000000000
 WFG: created WaveFunction in netCDF file
 Wannier: kpoints in direction n             1           24
 Wannier: kpoints in direction n             2           24
 Wannier: kpoints in direction n             3            1
 TIM: Number of iterations =             9
 TIM: Seconds User:   109.6 System:     0.0 U+S:   109.6
 TIM: Setup        29.2%       32.0 CPU seconds (   3.558 sec/iter)
 TIM: damden       69.3%       75.9 CPU seconds (   8.438 sec/iter)
 TIM: localF        0.4%        0.4 CPU seconds (   0.047 sec/iter)
 TIM: nsc energy    0.9%        1.0 CPU seconds (   0.107 sec/iter)
 TIM: Analysis      0.2%        0.2 CPU seconds (   0.027 sec/iter)
 TIM: libtos        0.1%        0.1 CPU seconds (   0.007 sec/iter)
 TIM:             ------  ---------------------
 TIM: Sum         100.0%      109.6 CPU seconds (  12.182 sec/iter)
 TIM:             ======  =====================
 TIM:
 TIM: Timing of some individual parts
 TIM: nonlocF       1.2%        1.3 CPU seconds (   0.144 sec/iter)
 TIM:   -vkbloop    1.0%        1.1 CPU seconds (   0.127 sec/iter)
 TIM:   -newdd      0.1%        0.1 CPU seconds (   0.016 sec/iter)
 TIM: cal_bec       2.6%        2.8 CPU seconds (   0.316 sec/iter)
 TIM: -loop1        0.4%        0.4 CPU seconds (   0.047 sec/iter)
 TIM: V_NL          1.3%        1.5 CPU seconds (   0.164 sec/iter)
 TIM: V_NL1         1.1%        1.2 CPU seconds (   0.133 sec/iter)
 TIM: V_NL2         0.1%        0.1 CPU seconds (   0.016 sec/iter)
 TIM:
 TIM: Timing of individual parts of damden
 TIM: damden       19.8%       21.7 CPU seconds (   2.413 sec/iter)
 TIM: -addusdens    4.0%        4.4 CPU seconds (   0.491 sec/iter)
 TIM: -nonlocF      1.2%        1.3 CPU seconds (   0.144 sec/iter)
 TIM: -newd         0.2%        0.2 CPU seconds (   0.027 sec/iter)
 TIM: --ddot        0.1%        0.1 CPU seconds (   0.016 sec/iter)
 TIM: -tidyup       0.5%        0.5 CPU seconds (   0.058 sec/iter)
 TIM: H_diagonal   49.5%       54.2 CPU seconds (   6.024 sec/iter)
 TIM: -apply_H     40.0%       43.9 CPU seconds (   4.873 sec/iter)
 TIM:  -vnlwav      4.5%        5.0 CPU seconds (   0.553 sec/iter)
 TIM:  -wf_FFT     32.9%       36.1 CPU seconds (   4.013 sec/iter)
 TIM: -Updat_wf     0.3%        0.3 CPU seconds (   0.033 sec/iter)
 TIM: -diag_HEEV    0.1%        0.1 CPU seconds (   0.013 sec/iter)
 TIM: -BLAS_ops     9.8%       10.7 CPU seconds (   1.191 sec/iter)
 TIM: -Restart      5.0%        5.5 CPU seconds (   0.609 sec/iter)
 TIM: -Eig. proj    0.2%        0.2 CPU seconds (   0.022 sec/iter)
 TIM: -Residual     0.5%        0.6 CPU seconds (   0.067 sec/iter)
 TIM: Subroutine apply_H was called   588 times (   0.075 sec/call)
 TIM: -Form_BHB     1.3%        1.5 CPU seconds (   0.164 sec/iter)
 TIM: -vec_rotat    3.8%        4.2 CPU seconds (   0.467 sec/iter)
 TIM: -residual     0.5%        0.6 CPU seconds (   0.067 sec/iter)
 clexit: exiting the program
