./iterations/neb0_image04_iter205_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 0.365358376962E+03 0.36536E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.178602109783E+01 -0.36357E+03 -0.35087E+03 861 0.194E+02
DAV: 3 -0.959722130802E+02 -0.97758E+02 -0.97447E+02 661 0.116E+02
DAV: 4 -0.100290150980E+03 -0.43179E+01 -0.43089E+01 728 0.280E+01
DAV: 5 -0.100372912612E+03 -0.82762E-01 -0.82734E-01 720 0.350E+00 0.223E+01
DAV: 6 -0.916650750747E+02 0.87078E+01 -0.31195E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908066839139E+02 0.85839E+00 -0.17864E+00 704 0.643E+00 0.483E+00
DAV: 8 -0.903935531754E+02 0.41313E+00 -0.55389E-01 704 0.440E+00 0.171E+00
DAV: 9 -0.903010513616E+02 0.92502E-01 -0.14273E-01 720 0.193E+00 0.511E-01
DAV: 10 -0.902896827827E+02 0.11369E-01 -0.35211E-02 712 0.977E-01 0.338E-01
DAV: 11 -0.902915847702E+02 -0.19020E-02 -0.84492E-03 696 0.515E-01 0.203E-01
DAV: 12 -0.902941843799E+02 -0.25996E-02 -0.27018E-03 693 0.444E-01 0.124E-01
DAV: 13 -0.902976475573E+02 -0.34632E-02 -0.21838E-03 618 0.299E-01 0.960E-02
DAV: 14 -0.903022457449E+02 -0.45982E-02 -0.21427E-03 628 0.256E-01 0.512E-02
DAV: 15 -0.903037349737E+02 -0.14892E-02 -0.30304E-04 680 0.967E-02 0.423E-02
DAV: 16 -0.903062016474E+02 -0.24667E-02 -0.76342E-04 716 0.183E-01 0.359E-02
DAV: 17 -0.903069985569E+02 -0.79691E-03 -0.12744E-04 680 0.678E-02 0.333E-02
DAV: 18 -0.903076113832E+02 -0.61283E-03 -0.16229E-04 719 0.734E-02 0.165E-02
DAV: 19 -0.903079166304E+02 -0.30525E-03 -0.78575E-05 680 0.534E-02 0.100E-02
DAV: 20 -0.903080553579E+02 -0.13873E-03 -0.13689E-05 463 0.189E-02 0.796E-03
DAV: 21 -0.903081274228E+02 -0.72065E-04 -0.10536E-05 458 0.165E-02 0.304E-03
DAV: 22 -0.903081752246E+02 -0.47802E-04 -0.90686E-06 428 0.135E-02 0.187E-03
DAV: 23 -0.903081812418E+02 -0.60172E-05 -0.13744E-06 496 0.558E-03
1 F= -.90308181E+02 E0= -.90316613E+02 d E =0.252947E-01