./iterations/neb0_image07_iter221_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 0.371453088090E+03 0.37145E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.377653623392E+01 -0.36768E+03 -0.35567E+03 869 0.194E+02
DAV: 3 -0.965662209379E+02 -0.10034E+03 -0.10004E+03 688 0.116E+02
DAV: 4 -0.101112297350E+03 -0.45461E+01 -0.45342E+01 704 0.281E+01
DAV: 5 -0.101202981641E+03 -0.90684E-01 -0.90630E-01 736 0.357E+00 0.227E+01
DAV: 6 -0.925866275788E+02 0.86164E+01 -0.30669E+01 725 0.299E+01 0.119E+01
DAV: 7 -0.917337801495E+02 0.85285E+00 -0.17442E+00 712 0.620E+00 0.480E+00
DAV: 8 -0.913607308302E+02 0.37305E+00 -0.54436E-01 728 0.398E+00 0.161E+00
DAV: 9 -0.912799407081E+02 0.80790E-01 -0.13119E-01 720 0.157E+00 0.421E-01
DAV: 10 -0.912713159009E+02 0.86248E-02 -0.40013E-02 768 0.104E+00 0.286E-01
DAV: 11 -0.912755255735E+02 -0.42097E-02 -0.10746E-02 616 0.542E-01 0.135E-01
DAV: 12 -0.912785454187E+02 -0.30198E-02 -0.25010E-03 624 0.268E-01 0.871E-02
DAV: 13 -0.912823586933E+02 -0.38133E-02 -0.13706E-03 645 0.176E-01 0.570E-02
DAV: 14 -0.912855383074E+02 -0.31796E-02 -0.97800E-04 821 0.241E-01 0.482E-02
DAV: 15 -0.912869071390E+02 -0.13688E-02 -0.37135E-04 672 0.118E-01 0.374E-02
DAV: 16 -0.912880213887E+02 -0.11142E-02 -0.20436E-04 752 0.766E-02 0.154E-02
DAV: 17 -0.912888507016E+02 -0.82931E-03 -0.11498E-04 712 0.531E-02 0.125E-02
DAV: 18 -0.912891418310E+02 -0.29113E-03 -0.25133E-05 552 0.281E-02 0.616E-03
DAV: 19 -0.912892596016E+02 -0.11777E-03 -0.24194E-05 544 0.240E-02 0.449E-03
DAV: 20 -0.912892739875E+02 -0.14386E-04 -0.17970E-06 520 0.114E-02 0.221E-03
DAV: 21 -0.912892963341E+02 -0.22347E-04 -0.49853E-06 412 0.131E-02 0.208E-03
DAV: 22 -0.912893018185E+02 -0.54844E-05 -0.92041E-07 480 0.672E-03
1 F= -.91289302E+02 E0= -.91294418E+02 d E =0.153498E-01