./iterations/neb0_image05_iter142_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 0.366252735207E+03 0.36625E+03 -0.14333E+04 640 0.799E+02
DAV: 2 0.279236506055E+01 -0.36346E+03 -0.35025E+03 866 0.192E+02
DAV: 3 -0.945466396374E+02 -0.97339E+02 -0.96967E+02 640 0.115E+02
DAV: 4 -0.992807858986E+02 -0.47341E+01 -0.47212E+01 736 0.296E+01
DAV: 5 -0.993800991944E+02 -0.99313E-01 -0.99275E-01 728 0.378E+00 0.220E+01
DAV: 6 -0.908843543312E+02 0.84957E+01 -0.30118E+01 677 0.297E+01 0.114E+01
DAV: 7 -0.900866559754E+02 0.79770E+00 -0.18424E+00 728 0.660E+00 0.477E+00
DAV: 8 -0.897142738547E+02 0.37238E+00 -0.53992E-01 712 0.452E+00 0.180E+00
DAV: 9 -0.896203288851E+02 0.93945E-01 -0.14101E-01 733 0.209E+00 0.572E-01
DAV: 10 -0.896068660755E+02 0.13463E-01 -0.39254E-02 736 0.994E-01 0.350E-01
DAV: 11 -0.896069850676E+02 -0.11899E-03 -0.10276E-02 744 0.540E-01 0.210E-01
DAV: 12 -0.896093712196E+02 -0.23862E-02 -0.39062E-03 623 0.420E-01 0.108E-01
DAV: 13 -0.896124232678E+02 -0.30520E-02 -0.15452E-03 620 0.207E-01 0.969E-02
DAV: 14 -0.896176802484E+02 -0.52570E-02 -0.32954E-03 654 0.346E-01 0.880E-02
DAV: 15 -0.896183972467E+02 -0.71700E-03 -0.40900E-04 736 0.148E-01 0.581E-02
DAV: 16 -0.896206249369E+02 -0.22277E-02 -0.13792E-03 695 0.243E-01 0.462E-02
DAV: 17 -0.896216748732E+02 -0.10499E-02 -0.18938E-04 696 0.877E-02 0.412E-02
DAV: 18 -0.896224537188E+02 -0.77885E-03 -0.12492E-04 666 0.583E-02 0.220E-02
DAV: 19 -0.896229823728E+02 -0.52865E-03 -0.13912E-04 762 0.705E-02 0.892E-03
DAV: 20 -0.896231423716E+02 -0.16000E-03 -0.17791E-05 565 0.221E-02 0.103E-02
DAV: 21 -0.896232131089E+02 -0.70737E-04 -0.70353E-06 450 0.117E-02 0.683E-03
DAV: 22 -0.896232467872E+02 -0.33678E-04 -0.10791E-05 457 0.218E-02 0.216E-03
DAV: 23 -0.896232568858E+02 -0.10099E-04 -0.50912E-06 445 0.129E-02 0.364E-03
DAV: 24 -0.896232584821E+02 -0.15963E-05 -0.85190E-07 520 0.490E-03
1 F= -.89623258E+02 E0= -.89631669E+02 d E =0.252322E-01