iterations/neb0_image04_iter76_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 0.371138681642E+03 0.37114E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.455723571836E+01 -0.36658E+03 -0.35378E+03 850 0.195E+02
DAV: 3 -0.955164615432E+02 -0.10007E+03 -0.99768E+02 698 0.117E+02
DAV: 4 -0.997718752034E+02 -0.42554E+01 -0.42445E+01 712 0.270E+01
DAV: 5 -0.998533511569E+02 -0.81476E-01 -0.81438E-01 728 0.336E+00 0.222E+01
DAV: 6 -0.913631404063E+02 0.84902E+01 -0.30051E+01 671 0.295E+01 0.116E+01
DAV: 7 -0.905096865365E+02 0.85345E+00 -0.17265E+00 720 0.626E+00 0.479E+00
DAV: 8 -0.901117175577E+02 0.39797E+00 -0.55611E-01 712 0.425E+00 0.165E+00
DAV: 9 -0.900176658017E+02 0.94052E-01 -0.13642E-01 712 0.170E+00 0.434E-01
DAV: 10 -0.900086014794E+02 0.90643E-02 -0.54809E-02 741 0.129E+00 0.341E-01
DAV: 11 -0.900127013302E+02 -0.40999E-02 -0.11962E-02 626 0.616E-01 0.131E-01
DAV: 12 -0.900152131146E+02 -0.25118E-02 -0.38834E-03 639 0.278E-01 0.123E-01
DAV: 13 -0.900191194115E+02 -0.39063E-02 -0.15805E-03 845 0.311E-01 0.647E-02
DAV: 14 -0.900222018540E+02 -0.30824E-02 -0.95821E-04 650 0.144E-01 0.509E-02
DAV: 15 -0.900248652905E+02 -0.26634E-02 -0.39187E-04 709 0.110E-01 0.333E-02
DAV: 16 -0.900261397414E+02 -0.12745E-02 -0.36915E-04 688 0.998E-02 0.286E-02
DAV: 17 -0.900269594981E+02 -0.81976E-03 -0.18300E-04 780 0.858E-02 0.130E-02
DAV: 18 -0.900271785797E+02 -0.21908E-03 -0.31471E-05 616 0.321E-02 0.682E-03
DAV: 19 -0.900273311938E+02 -0.15261E-03 -0.25180E-05 502 0.222E-02 0.368E-03
DAV: 20 -0.900273469118E+02 -0.15718E-04 -0.17172E-06 520 0.803E-03 0.255E-03
DAV: 21 -0.900273898861E+02 -0.42974E-04 -0.69521E-06 395 0.122E-02 0.196E-03
DAV: 22 -0.900273915216E+02 -0.16355E-05 -0.88791E-07 536 0.578E-03
1 F= -.90027392E+02 E0= -.90031756E+02 d E =0.130937E-01