iterations/neb0_image03_iter91_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 0.367178127215E+03 0.36718E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.324355839801E+01 -0.36393E+03 -0.35064E+03 845 0.195E+02
DAV: 3 -0.955708750163E+02 -0.98814E+02 -0.98496E+02 661 0.116E+02
DAV: 4 -0.100145932476E+03 -0.45751E+01 -0.45655E+01 712 0.288E+01
DAV: 5 -0.100235194927E+03 -0.89262E-01 -0.89226E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916473230515E+02 0.85879E+01 -0.30685E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.908054756471E+02 0.84185E+00 -0.18285E+00 704 0.638E+00 0.482E+00
DAV: 8 -0.904032543140E+02 0.40222E+00 -0.56261E-01 696 0.429E+00 0.166E+00
DAV: 9 -0.903077008127E+02 0.95554E-01 -0.13588E-01 688 0.176E+00 0.443E-01
DAV: 10 -0.902996297592E+02 0.80711E-02 -0.43370E-02 728 0.110E+00 0.332E-01
DAV: 11 -0.903029369794E+02 -0.33072E-02 -0.69122E-03 672 0.569E-01 0.114E-01
DAV: 12 -0.903052520610E+02 -0.23151E-02 -0.39677E-03 623 0.288E-01 0.114E-01
DAV: 13 -0.903102780823E+02 -0.50260E-02 -0.25714E-03 808 0.366E-01 0.870E-02
DAV: 14 -0.903130029636E+02 -0.27249E-02 -0.67216E-04 672 0.149E-01 0.559E-02
DAV: 15 -0.903157720052E+02 -0.27690E-02 -0.97502E-04 653 0.187E-01 0.357E-02
DAV: 16 -0.903170416825E+02 -0.12697E-02 -0.16823E-04 752 0.893E-02 0.155E-02
DAV: 17 -0.903179943552E+02 -0.95267E-03 -0.14924E-04 661 0.517E-02 0.945E-03
DAV: 18 -0.903182460252E+02 -0.25167E-03 -0.18936E-05 536 0.259E-02 0.438E-03
DAV: 19 -0.903184017979E+02 -0.15577E-03 -0.20030E-05 479 0.205E-02 0.446E-03
DAV: 20 -0.903184235661E+02 -0.21768E-04 -0.26633E-06 536 0.124E-02 0.263E-03
DAV: 21 -0.903184797351E+02 -0.56169E-04 -0.10279E-05 408 0.166E-02 0.289E-03
DAV: 22 -0.903184842810E+02 -0.45459E-05 -0.16742E-06 528 0.874E-03
1 F= -.90318484E+02 E0= -.90326857E+02 d E =0.251183E-01