./iterations/neb0_image04_iter164_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 0.363955350694E+03 0.36396E+03 -0.14356E+04 640 0.799E+02
DAV: 2 0.796831735494E+00 -0.36316E+03 -0.35033E+03 874 0.194E+02
DAV: 3 -0.959827113655E+02 -0.96780E+02 -0.96470E+02 666 0.115E+02
DAV: 4 -0.100209663887E+03 -0.42270E+01 -0.42172E+01 720 0.277E+01
DAV: 5 -0.100288524891E+03 -0.78861E-01 -0.78833E-01 728 0.345E+00 0.223E+01
DAV: 6 -0.915937659857E+02 0.86948E+01 -0.30959E+01 682 0.297E+01 0.116E+01
DAV: 7 -0.907345265342E+02 0.85924E+00 -0.17913E+00 712 0.630E+00 0.484E+00
DAV: 8 -0.903272385478E+02 0.40729E+00 -0.56252E-01 704 0.425E+00 0.163E+00
DAV: 9 -0.902322721434E+02 0.94966E-01 -0.13420E-01 712 0.166E+00 0.437E-01
DAV: 10 -0.902232718890E+02 0.90003E-02 -0.48412E-02 709 0.116E+00 0.341E-01
DAV: 11 -0.902278902843E+02 -0.46184E-02 -0.89707E-03 624 0.650E-01 0.125E-01
DAV: 12 -0.902305470732E+02 -0.26568E-02 -0.47309E-03 628 0.325E-01 0.140E-01
DAV: 13 -0.902333712640E+02 -0.28242E-02 -0.20919E-03 688 0.315E-01 0.716E-02
DAV: 14 -0.902377242967E+02 -0.43530E-02 -0.12697E-03 625 0.160E-01 0.597E-02
DAV: 15 -0.902401094494E+02 -0.23852E-02 -0.32861E-04 704 0.115E-01 0.290E-02
DAV: 16 -0.902416891965E+02 -0.15797E-02 -0.38899E-04 655 0.103E-01 0.302E-02
DAV: 17 -0.902425077747E+02 -0.81858E-03 -0.15541E-04 850 0.877E-02 0.168E-02
DAV: 18 -0.902428029206E+02 -0.29515E-03 -0.43799E-05 672 0.348E-02 0.113E-02
DAV: 19 -0.902429841404E+02 -0.18122E-03 -0.30090E-05 561 0.269E-02 0.385E-03
DAV: 20 -0.902430901484E+02 -0.10601E-03 -0.98183E-06 437 0.170E-02 0.266E-03
DAV: 21 -0.902431400921E+02 -0.49944E-04 -0.80518E-06 468 0.101E-02 0.269E-03
DAV: 22 -0.902431466911E+02 -0.65991E-05 -0.14613E-06 528 0.761E-03
1 F= -.90243147E+02 E0= -.90252081E+02 d E =0.268027E-01