iterations/neb0_image04_iter128_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.369616336153E+03 0.36962E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.462851681274E+01 -0.36499E+03 -0.35183E+03 850 0.195E+02
DAV: 3 -0.954398784209E+02 -0.10007E+03 -0.99736E+02 685 0.116E+02
DAV: 4 -0.999213066405E+02 -0.44814E+01 -0.44701E+01 712 0.279E+01
DAV: 5 -0.100008660026E+03 -0.87353E-01 -0.87313E-01 728 0.350E+00 0.222E+01
DAV: 6 -0.914595746859E+02 0.85491E+01 -0.30138E+01 690 0.295E+01 0.116E+01
DAV: 7 -0.906032243505E+02 0.85635E+00 -0.17640E+00 712 0.628E+00 0.479E+00
DAV: 8 -0.902041129453E+02 0.39911E+00 -0.55804E-01 712 0.422E+00 0.164E+00
DAV: 9 -0.901102610377E+02 0.93852E-01 -0.13092E-01 720 0.177E+00 0.439E-01
DAV: 10 -0.901012431847E+02 0.90179E-02 -0.53431E-02 712 0.127E+00 0.346E-01
DAV: 11 -0.901055014775E+02 -0.42583E-02 -0.15302E-02 624 0.755E-01 0.160E-01
DAV: 12 -0.901060596104E+02 -0.55813E-03 -0.42060E-03 640 0.398E-01 0.130E-01
DAV: 13 -0.901102908561E+02 -0.42312E-02 -0.81822E-03 711 0.713E-01 0.124E-01
DAV: 14 -0.901125429530E+02 -0.22521E-02 -0.22536E-03 680 0.291E-01 0.865E-02
DAV: 15 -0.901144189334E+02 -0.18760E-02 -0.92204E-04 671 0.166E-01 0.340E-02
DAV: 16 -0.901165000040E+02 -0.20811E-02 -0.44789E-04 658 0.108E-01 0.329E-02
DAV: 17 -0.901176572050E+02 -0.11572E-02 -0.10930E-04 666 0.535E-02 0.271E-02
DAV: 18 -0.901183039682E+02 -0.64676E-03 -0.27442E-04 642 0.108E-01 0.149E-02
DAV: 19 -0.901183328886E+02 -0.28920E-04 -0.33977E-05 688 0.345E-02 0.143E-02
DAV: 20 -0.901183912041E+02 -0.58316E-04 -0.20400E-05 511 0.302E-02 0.767E-03
DAV: 21 -0.901185158501E+02 -0.12465E-03 -0.15172E-05 450 0.190E-02 0.448E-03
DAV: 22 -0.901185482963E+02 -0.32446E-04 -0.99119E-06 469 0.163E-02 0.251E-03
DAV: 23 -0.901185645046E+02 -0.16208E-04 -0.31944E-06 437 0.112E-02 0.173E-03
DAV: 24 -0.901185722691E+02 -0.77645E-05 -0.22365E-06 458 0.728E-03
1 F= -.90118572E+02 E0= -.90122866E+02 d E =0.128800E-01