iterations/neb0_image08_iter281_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 0.374416891705E+03 0.37442E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.337260995575E+01 -0.37104E+03 -0.35962E+03 877 0.196E+02
DAV: 3 -0.964471223865E+02 -0.99820E+02 -0.99490E+02 648 0.116E+02
DAV: 4 -0.101225615854E+03 -0.47785E+01 -0.47674E+01 712 0.298E+01
DAV: 5 -0.101320250589E+03 -0.94635E-01 -0.94595E-01 720 0.379E+00 0.227E+01
DAV: 6 -0.926581826416E+02 0.86621E+01 -0.30791E+01 709 0.299E+01 0.119E+01
DAV: 7 -0.917887524492E+02 0.86943E+00 -0.16927E+00 728 0.611E+00 0.480E+00
DAV: 8 -0.914139408471E+02 0.37481E+00 -0.55119E-01 728 0.401E+00 0.161E+00
DAV: 9 -0.913350012671E+02 0.78940E-01 -0.12830E-01 728 0.153E+00 0.420E-01
DAV: 10 -0.913266328977E+02 0.83684E-02 -0.44982E-02 736 0.108E+00 0.305E-01
DAV: 11 -0.913314563427E+02 -0.48234E-02 -0.14112E-02 608 0.609E-01 0.154E-01
DAV: 12 -0.913344565834E+02 -0.30002E-02 -0.29132E-03 634 0.233E-01 0.112E-01
DAV: 13 -0.913382373689E+02 -0.37808E-02 -0.25885E-03 647 0.268E-01 0.560E-02
DAV: 14 -0.913415175960E+02 -0.32802E-02 -0.91690E-04 656 0.176E-01 0.278E-02
DAV: 15 -0.913427717422E+02 -0.12541E-02 -0.16557E-04 696 0.707E-02 0.198E-02
DAV: 16 -0.913437577938E+02 -0.98605E-03 -0.16570E-04 679 0.794E-02 0.127E-02
DAV: 17 -0.913442122089E+02 -0.45442E-03 -0.40107E-05 680 0.322E-02 0.117E-02
DAV: 18 -0.913443525629E+02 -0.14035E-03 -0.15372E-05 480 0.235E-02 0.607E-03
DAV: 19 -0.913445067118E+02 -0.15415E-03 -0.25643E-05 527 0.219E-02 0.410E-03
DAV: 20 -0.913445260689E+02 -0.19357E-04 -0.19346E-06 520 0.985E-03 0.222E-03
DAV: 21 -0.913445464002E+02 -0.20331E-04 -0.52692E-06 403 0.134E-02 0.257E-03
DAV: 22 -0.913445492615E+02 -0.28613E-05 -0.91880E-07 485 0.641E-03
1 F= -.91344549E+02 E0= -.91349225E+02 d E =0.140284E-01