iterations/neb0_image03_iter251_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 0.363163633737E+03 0.36316E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.918511281220E+00 -0.36225E+03 -0.35196E+03 842 0.195E+02
DAV: 3 -0.960388811694E+02 -0.96957E+02 -0.96649E+02 669 0.115E+02
DAV: 4 -0.100290741551E+03 -0.42519E+01 -0.42416E+01 712 0.277E+01
DAV: 5 -0.100373273990E+03 -0.82532E-01 -0.82505E-01 736 0.347E+00 0.222E+01
DAV: 6 -0.917143562849E+02 0.86589E+01 -0.31326E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908784066126E+02 0.83595E+00 -0.17922E+00 720 0.634E+00 0.484E+00
DAV: 8 -0.904880340803E+02 0.39037E+00 -0.55247E-01 704 0.424E+00 0.169E+00
DAV: 9 -0.903963908573E+02 0.91643E-01 -0.13211E-01 712 0.167E+00 0.434E-01
DAV: 10 -0.903900036992E+02 0.63872E-02 -0.46592E-02 704 0.118E+00 0.331E-01
DAV: 11 -0.903946100589E+02 -0.46064E-02 -0.83789E-03 624 0.637E-01 0.120E-01
DAV: 12 -0.903974098232E+02 -0.27998E-02 -0.44225E-03 632 0.316E-01 0.111E-01
DAV: 13 -0.904018760899E+02 -0.44663E-02 -0.16534E-03 687 0.266E-01 0.879E-02
DAV: 14 -0.904048750121E+02 -0.29989E-02 -0.10740E-03 664 0.151E-01 0.489E-02
DAV: 15 -0.904072276255E+02 -0.23526E-02 -0.39789E-04 669 0.103E-01 0.240E-02
DAV: 16 -0.904085404648E+02 -0.13128E-02 -0.21682E-04 669 0.713E-02 0.215E-02
DAV: 17 -0.904091413657E+02 -0.60090E-03 -0.97927E-05 768 0.604E-02 0.105E-02
DAV: 18 -0.904093894211E+02 -0.24806E-03 -0.39082E-05 597 0.313E-02 0.115E-02
DAV: 19 -0.904094626089E+02 -0.73188E-04 -0.10856E-05 496 0.246E-02 0.593E-03
DAV: 20 -0.904095254180E+02 -0.62809E-04 -0.21190E-05 530 0.251E-02 0.546E-03
DAV: 21 -0.904095707559E+02 -0.45338E-04 -0.92776E-06 469 0.228E-02 0.241E-03
DAV: 22 -0.904095828104E+02 -0.12054E-04 -0.30131E-06 496 0.880E-03 0.144E-03
DAV: 23 -0.904095862887E+02 -0.34783E-05 -0.94183E-07 432 0.582E-03
1 F= -.90409586E+02 E0= -.90417450E+02 d E =0.235903E-01