./iterations/neb0_image06_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 0.374729785319E+03 0.37473E+03 -0.14306E+04 632 0.799E+02
DAV: 2 0.381448449626E+01 -0.37092E+03 -0.35904E+03 882 0.194E+02
DAV: 3 -0.956064819154E+02 -0.99421E+02 -0.99103E+02 664 0.116E+02
DAV: 4 -0.100290277916E+03 -0.46838E+01 -0.46706E+01 712 0.289E+01
DAV: 5 -0.100386199517E+03 -0.95922E-01 -0.95878E-01 741 0.368E+00 0.225E+01
DAV: 6 -0.918424805285E+02 0.85437E+01 -0.30776E+01 706 0.305E+01 0.117E+01
DAV: 7 -0.910413020808E+02 0.80118E+00 -0.17403E+00 720 0.630E+00 0.480E+00
DAV: 8 -0.906654935007E+02 0.37581E+00 -0.50441E-01 720 0.401E+00 0.169E+00
DAV: 9 -0.905731089393E+02 0.92385E-01 -0.13590E-01 720 0.165E+00 0.418E-01
DAV: 10 -0.905638817050E+02 0.92272E-02 -0.43539E-02 768 0.110E+00 0.301E-01
DAV: 11 -0.905682931040E+02 -0.44114E-02 -0.12958E-02 610 0.623E-01 0.161E-01
DAV: 12 -0.905700425927E+02 -0.17495E-02 -0.19578E-03 650 0.264E-01 0.117E-01
DAV: 13 -0.905744796552E+02 -0.44371E-02 -0.38313E-03 708 0.438E-01 0.675E-02
DAV: 14 -0.905761223492E+02 -0.16427E-02 -0.78308E-04 720 0.164E-01 0.520E-02
DAV: 15 -0.905787727559E+02 -0.26504E-02 -0.64631E-04 626 0.132E-01 0.340E-02
DAV: 16 -0.905804225773E+02 -0.16498E-02 -0.17912E-04 661 0.707E-02 0.311E-02
DAV: 17 -0.905812802065E+02 -0.85763E-03 -0.24906E-04 789 0.123E-01 0.155E-02
DAV: 18 -0.905816799424E+02 -0.39974E-03 -0.17175E-04 656 0.768E-02 0.241E-02
DAV: 19 -0.905818342384E+02 -0.15430E-03 -0.33977E-05 596 0.335E-02 0.161E-02
DAV: 20 -0.905818866761E+02 -0.52438E-04 -0.18529E-05 496 0.284E-02 0.762E-03
DAV: 21 -0.905819636197E+02 -0.76944E-04 -0.26694E-05 473 0.267E-02 0.579E-03
DAV: 22 -0.905819699250E+02 -0.63053E-05 -0.27268E-06 504 0.104E-02
1 F= -.90581970E+02 E0= -.90587171E+02 d E =0.156020E-01