 running on    1 total cores
 distrk:  each k-point on    1 cores,    1 groups
 distr:  one band on    1 cores,    1 groups
 vasp.6.2.1 16May21 (build Oct 21 2023 21:03:18) complex                        
  
 POSCAR found type information on POSCAR C 
 POSCAR found :  1 types and       4 ions
 scaLAPACK will be used
 -----------------------------------------------------------------------------
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|     The value NPAR = 4 specified in the INCAR file was overwritten,         |
|     because it was not compatible with the 1 processes available:           |
|     NPAR = 1                                                                |
|     was used instead, please check that this makes sense for your           |
|     machine.                                                                |
|                                                                             |
 -----------------------------------------------------------------------------

 LDA part: xc-table for Pade appr. of Perdew
 POSCAR, INCAR and KPOINTS ok, starting setup
 FFT: planning ...
 WAVECAR not read
 entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1     0.257665154136E+02    0.25767E+02   -0.84448E+03   144   0.124E+03
DAV:   2    -0.354149186441E+02   -0.61181E+02   -0.56735E+02   204   0.211E+02
DAV:   3    -0.375435368101E+02   -0.21286E+01   -0.21188E+01   192   0.369E+01
DAV:   4    -0.375632103963E+02   -0.19674E-01   -0.19670E-01   168   0.392E+00
DAV:   5    -0.375636053825E+02   -0.39499E-03   -0.39488E-03   192   0.503E-01    0.774E+00
DAV:   6    -0.366358503950E+02    0.92775E+00   -0.61692E-01   144   0.634E+00    0.464E+00
DAV:   7    -0.363225613879E+02    0.31329E+00   -0.71538E-01   156   0.700E+00    0.103E+00
DAV:   8    -0.363250911146E+02   -0.25297E-02   -0.12447E-02   176   0.966E-01    0.562E-02
DAV:   9    -0.363251870383E+02   -0.95924E-04   -0.19726E-04   184   0.138E-01    0.278E-02
DAV:  10    -0.363252305842E+02   -0.43546E-04   -0.41800E-05   164   0.688E-02    0.378E-03
DAV:  11    -0.363252300957E+02    0.48848E-06   -0.71865E-07   148   0.752E-03
   1 F= -.36325216E+02 E0= -.36325216E+02  d E =-.363252E+02
 curvature:   0.00 expect dE= 0.000E+00 dE for cont linesearch  0.000E+00
 trial: gam= 0.00000 g(F)=  0.246E-02 g(S)=  0.569E-03 ort = 0.000E+00 (trialstep = 0.100E+01)
 search vector abs. value=  0.303E-02
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.363273366473E+02   -0.21061E-02   -0.52161E-02   148   0.219E+00    0.420E-02
DAV:   2    -0.363273633620E+02   -0.26715E-04   -0.48952E-04   184   0.198E-01    0.266E-02
DAV:   3    -0.363273533940E+02    0.99681E-05   -0.23102E-05   164   0.417E-02    0.454E-03
DAV:   4    -0.363273534265E+02   -0.32556E-07   -0.47289E-07   120   0.705E-03
   2 F= -.36327339E+02 E0= -.36327339E+02  d E =-.212335E-02
 trial-energy change:   -0.002123  1 .order   -0.002119   -0.003033   -0.001206
 step:   1.6599(harm=  1.6599)  dis= 0.00405  next Energy=   -36.327733 (dE=-0.252E-02)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.363277402551E+02   -0.38686E-03   -0.22757E-02   148   0.145E+00    0.276E-02
DAV:   2    -0.363277525065E+02   -0.12251E-04   -0.21786E-04   184   0.132E-01    0.175E-02
DAV:   3    -0.363277482666E+02    0.42400E-05   -0.10174E-05   164   0.277E-02    0.300E-03
DAV:   4    -0.363277482924E+02   -0.25787E-07   -0.21209E-07   108   0.473E-03
   3 F= -.36327734E+02 E0= -.36327734E+02  d E =-.251823E-02
 curvature:  -0.83 expect dE=-0.623E-04 dE for cont linesearch -0.590E-07
 trial: gam= 0.02959 g(F)=  0.156E-04 g(S)=  0.594E-04 ort =-0.147E-04 (trialstep = 0.113E+01)
 search vector abs. value=  0.768E-04
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.363278180059E+02   -0.69739E-04   -0.79844E-04   168   0.277E-01    0.173E-02
DAV:   2    -0.363278134236E+02    0.45823E-05   -0.19110E-05   180   0.409E-02    0.115E-02
DAV:   3    -0.363278108232E+02    0.26003E-05   -0.52765E-06   160   0.215E-02    0.820E-04
DAV:   4    -0.363278108814E+02   -0.58123E-07   -0.30992E-07    84   0.488E-03
   4 F= -.36327797E+02 E0= -.36327797E+02  d E =-.625987E-04
 trial-energy change:   -0.000063  1 .order   -0.000062   -0.000084   -0.000039
 step:   2.1033(harm=  2.1033)  dis= 0.00026  next Energy=   -36.327812 (dE=-0.785E-04)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.363278337575E+02   -0.22934E-04   -0.59202E-04   168   0.239E-01    0.149E-02
DAV:   2    -0.363278303958E+02    0.33616E-05   -0.14313E-05   180   0.354E-02    0.990E-03
DAV:   3    -0.363278284966E+02    0.18993E-05   -0.39010E-06   164   0.185E-02    0.715E-04
DAV:   4    -0.363278285450E+02   -0.48378E-07   -0.23278E-07    84   0.422E-03
   5 F= -.36327814E+02 E0= -.36327814E+02  d E =-.802706E-04
 curvature:  -1.08 expect dE=-0.136E-06 dE for cont linesearch -0.441E-09
 ZBRENT: extrapolating
 opt :   2.1083  next Energy=   -36.327814 (dE=-0.803E-04)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.363278285903E+02   -0.93727E-07   -0.47509E-08    84   0.225E-03    0.151E-04
DAV:   2    -0.363278285917E+02   -0.13889E-08   -0.32328E-09    84   0.618E-04
   6 F= -.36327814E+02 E0= -.36327814E+02  d E =-.803174E-04
 curvature:  -1.09 expect dE=-0.140E-06 dE for cont linesearch -0.889E-09
 ZBRENT: increasing intervall
 opt :   2.1183  next Energy=   -36.327814 (dE=-0.803E-04)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.363278285953E+02   -0.49757E-08   -0.58443E-08    84   0.242E-03    0.153E-04
DAV:   2    -0.363278285972E+02   -0.18611E-08   -0.31812E-09    80   0.637E-04
   7 F= -.36327814E+02 E0= -.36327814E+02  d E =-.803229E-04
 curvature:  -3.98 expect dE=-0.499E-06 dE for cont linesearch -0.360E-09
 ZBRENT: bracketing found
 ZBRENT: interpolating
 opt :   2.1158  next Energy=   -36.327814 (dE=-0.803E-04)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.363278286006E+02   -0.53021E-08   -0.53060E-09    72   0.715E-04    0.269E-05
DAV:   2    -0.363278286006E+02   -0.42064E-10   -0.29488E-10    72   0.193E-04
   8 F= -.36327814E+02 E0= -.36327814E+02  d E =-.803264E-04
 curvature:  -1.15 expect dE=-0.146E-06 dE for cont linesearch -0.660E-10
 ZBRENT: bisectioning
 opt :   2.1121  next Energy=   -36.327814 (dE=-0.803E-04)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.363278286005E+02    0.13631E-09   -0.84280E-09    72   0.919E-04    0.600E-05
DAV:   2    -0.363278285997E+02    0.79137E-09   -0.46987E-10    72   0.244E-04
   9 F= -.36327814E+02 E0= -.36327814E+02  d E =-.803254E-04
 curvature:  -3.51 expect dE=-0.447E-06 dE for cont linesearch -0.122E-09
 ZBRENT: interpolating
 opt :   2.1137  next Energy=   -36.327814 (dE=-0.803E-04)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.363278285984E+02    0.20448E-08   -0.20119E-09    72   0.441E-04    0.199E-05
DAV:   2    -0.363278285986E+02   -0.17815E-09   -0.10327E-10    72   0.117E-04
  10 F= -.36327814E+02 E0= -.36327814E+02  d E =-.803243E-04
 curvature:  -1.22 expect dE=-0.155E-06 dE for cont linesearch -0.111E-10
 ZBRENT: interpolating
 opt :   2.1150  next Energy=   -36.327814 (dE=-0.803E-04)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.363278285988E+02   -0.40836E-09   -0.87914E-10    72   0.299E-04    0.213E-05
DAV:   2    -0.363278285992E+02   -0.41655E-09   -0.50011E-11    72   0.793E-05
  11 F= -.36327814E+02 E0= -.36327814E+02  d E =-.803250E-04
 curvature:  -2.31 expect dE=-0.292E-06 dE for cont linesearch -0.772E-11
 trial: gam=-0.00334 g(F)=  0.620E-07 g(S)=  0.644E-07 ort =-0.160E-07 (trialstep = 0.133E+01)
 search vector abs. value=  0.127E-06
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.363278287192E+02   -0.12038E-06   -0.35513E-06   148   0.180E-02    0.801E-04
DAV:   2    -0.363278287045E+02    0.14694E-07   -0.62223E-08    72   0.243E-03
  12 F= -.36327814E+02 E0= -.36327814E+02  d E =-.104921E-06
 trial-energy change:   -0.000000  1 .order   -0.000000   -0.000000   -0.000000
 step:   2.2920(harm=  2.2920)  dis= 0.00003  next Energy=   -36.327814 (dE=-0.145E-06)
 reached required accuracy - stopping structural energy minimisation
