iterations/neb0_image04_iter167_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 0.363721440379E+03 0.36372E+03 -0.14356E+04 640 0.799E+02
DAV: 2 0.676645610422E+00 -0.36304E+03 -0.35012E+03 874 0.194E+02
DAV: 3 -0.960250368175E+02 -0.96702E+02 -0.96397E+02 666 0.115E+02
DAV: 4 -0.100237478468E+03 -0.42124E+01 -0.42028E+01 704 0.277E+01
DAV: 5 -0.100317063901E+03 -0.79585E-01 -0.79553E-01 736 0.346E+00 0.223E+01
DAV: 6 -0.916066791210E+02 0.87104E+01 -0.31013E+01 687 0.297E+01 0.116E+01
DAV: 7 -0.907415966857E+02 0.86508E+00 -0.17863E+00 704 0.630E+00 0.484E+00
DAV: 8 -0.903304080637E+02 0.41119E+00 -0.57256E-01 704 0.430E+00 0.162E+00
DAV: 9 -0.902355864692E+02 0.94822E-01 -0.13312E-01 712 0.168E+00 0.440E-01
DAV: 10 -0.902264429564E+02 0.91435E-02 -0.48639E-02 720 0.114E+00 0.345E-01
DAV: 11 -0.902316392447E+02 -0.51963E-02 -0.11397E-02 680 0.726E-01 0.150E-01
DAV: 12 -0.902333989896E+02 -0.17597E-02 -0.37697E-03 648 0.316E-01 0.132E-01
DAV: 13 -0.902367849509E+02 -0.33860E-02 -0.26679E-03 618 0.318E-01 0.737E-02
DAV: 14 -0.902409739614E+02 -0.41890E-02 -0.10022E-03 628 0.147E-01 0.508E-02
DAV: 15 -0.902433455946E+02 -0.23716E-02 -0.37028E-04 672 0.104E-01 0.243E-02
DAV: 16 -0.902449998004E+02 -0.16542E-02 -0.25457E-04 663 0.776E-02 0.223E-02
DAV: 17 -0.902458268050E+02 -0.82700E-03 -0.97900E-05 682 0.581E-02 0.137E-02
DAV: 18 -0.902460829034E+02 -0.25610E-03 -0.47168E-05 680 0.352E-02 0.840E-03
DAV: 19 -0.902462053125E+02 -0.12241E-03 -0.15299E-05 449 0.268E-02 0.349E-03
DAV: 20 -0.902463157654E+02 -0.11045E-03 -0.16572E-05 476 0.168E-02 0.319E-03
DAV: 21 -0.902463428190E+02 -0.27054E-04 -0.27406E-06 488 0.100E-02 0.190E-03
DAV: 22 -0.902463542152E+02 -0.11396E-04 -0.23537E-06 450 0.789E-03 0.173E-03
DAV: 23 -0.902463594082E+02 -0.51930E-05 -0.88817E-07 442 0.517E-03
1 F= -.90246359E+02 E0= -.90255293E+02 d E =0.268020E-01