./iterations/neb0_image09_iter231_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 0.374008611156E+03 0.37401E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.329421429188E+01 -0.37071E+03 -0.35812E+03 869 0.196E+02
DAV: 3 -0.967296099922E+02 -0.10002E+03 -0.99695E+02 661 0.117E+02
DAV: 4 -0.101260989734E+03 -0.45314E+01 -0.45207E+01 720 0.287E+01
DAV: 5 -0.101349924678E+03 -0.88935E-01 -0.88894E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926775347827E+02 0.86724E+01 -0.30987E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.918098511658E+02 0.86768E+00 -0.17162E+00 720 0.612E+00 0.479E+00
DAV: 8 -0.914342362975E+02 0.37561E+00 -0.54509E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913534999230E+02 0.80736E-01 -0.13190E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913453980641E+02 0.81019E-02 -0.43805E-02 760 0.108E+00 0.299E-01
DAV: 11 -0.913497269751E+02 -0.43289E-02 -0.11612E-02 608 0.560E-01 0.131E-01
DAV: 12 -0.913530049003E+02 -0.32779E-02 -0.28537E-03 623 0.242E-01 0.108E-01
DAV: 13 -0.913564634746E+02 -0.34586E-02 -0.12218E-03 682 0.192E-01 0.422E-02
DAV: 14 -0.913596977387E+02 -0.32343E-02 -0.68705E-04 656 0.140E-01 0.379E-02
DAV: 15 -0.913610228750E+02 -0.13251E-02 -0.13173E-04 760 0.795E-02 0.320E-02
DAV: 16 -0.913625041499E+02 -0.14813E-02 -0.32419E-04 645 0.863E-02 0.173E-02
DAV: 17 -0.913629271464E+02 -0.42300E-03 -0.64948E-05 680 0.545E-02 0.117E-02
DAV: 18 -0.913631669950E+02 -0.23985E-03 -0.39869E-05 565 0.266E-02 0.897E-03
DAV: 19 -0.913632067972E+02 -0.39802E-04 -0.71635E-06 512 0.160E-02 0.400E-03
DAV: 20 -0.913632362445E+02 -0.29447E-04 -0.67987E-06 418 0.160E-02 0.180E-03
DAV: 21 -0.913632483007E+02 -0.12056E-04 -0.21317E-06 464 0.696E-03 0.237E-03
DAV: 22 -0.913632523658E+02 -0.40651E-05 -0.47140E-07 472 0.408E-03
1 F= -.91363252E+02 E0= -.91367990E+02 d E =0.142118E-01