./iterations/neb0_image03_iter234_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 0.363481436928E+03 0.36348E+03 -0.14326E+04 632 0.799E+02
DAV: 2 -0.300985977571E+00 -0.36378E+03 -0.35421E+03 858 0.195E+02
DAV: 3 -0.960851511076E+02 -0.95784E+02 -0.95480E+02 664 0.115E+02
DAV: 4 -0.100316776002E+03 -0.42316E+01 -0.42214E+01 712 0.277E+01
DAV: 5 -0.100399520543E+03 -0.82745E-01 -0.82715E-01 736 0.348E+00 0.223E+01
DAV: 6 -0.917305547032E+02 0.86690E+01 -0.31198E+01 669 0.299E+01 0.117E+01
DAV: 7 -0.908839735870E+02 0.84658E+00 -0.18001E+00 720 0.634E+00 0.484E+00
DAV: 8 -0.904891319646E+02 0.39484E+00 -0.56581E-01 704 0.430E+00 0.168E+00
DAV: 9 -0.903974365043E+02 0.91695E-01 -0.13174E-01 712 0.167E+00 0.438E-01
DAV: 10 -0.903905312287E+02 0.69053E-02 -0.50069E-02 720 0.124E+00 0.341E-01
DAV: 11 -0.903949926827E+02 -0.44615E-02 -0.94909E-03 656 0.661E-01 0.119E-01
DAV: 12 -0.903980081946E+02 -0.30155E-02 -0.52965E-03 618 0.332E-01 0.124E-01
DAV: 13 -0.904020823948E+02 -0.40742E-02 -0.19279E-03 893 0.327E-01 0.874E-02
DAV: 14 -0.904051180707E+02 -0.30357E-02 -0.11071E-03 672 0.153E-01 0.594E-02
DAV: 15 -0.904072528701E+02 -0.21348E-02 -0.34779E-04 661 0.959E-02 0.304E-02
DAV: 16 -0.904088091385E+02 -0.15563E-02 -0.36201E-04 672 0.970E-02 0.247E-02
DAV: 17 -0.904096036972E+02 -0.79456E-03 -0.15113E-04 736 0.754E-02 0.107E-02
DAV: 18 -0.904098846175E+02 -0.28092E-03 -0.54660E-05 688 0.355E-02 0.980E-03
DAV: 19 -0.904099387073E+02 -0.54090E-04 -0.62096E-06 480 0.171E-02 0.453E-03
DAV: 20 -0.904100219076E+02 -0.83200E-04 -0.23169E-05 506 0.258E-02 0.581E-03
DAV: 21 -0.904100399516E+02 -0.18044E-04 -0.25070E-06 504 0.105E-02 0.411E-03
DAV: 22 -0.904100463271E+02 -0.63756E-05 -0.28217E-06 456 0.994E-03
1 F= -.90410046E+02 E0= -.90417192E+02 d E =0.214357E-01