./iterations/neb0_image09_iter54_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 0.374410344902E+03 0.37441E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.251957146418E+01 -0.37189E+03 -0.35952E+03 877 0.196E+02
DAV: 3 -0.966652670054E+02 -0.99185E+02 -0.98849E+02 656 0.117E+02
DAV: 4 -0.101206016603E+03 -0.45407E+01 -0.45316E+01 688 0.289E+01
DAV: 5 -0.101296443299E+03 -0.90427E-01 -0.90387E-01 736 0.369E+00 0.226E+01
DAV: 6 -0.926606841107E+02 0.86358E+01 -0.30846E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.917982067705E+02 0.86248E+00 -0.17124E+00 728 0.616E+00 0.479E+00
DAV: 8 -0.914216020711E+02 0.37660E+00 -0.54748E-01 712 0.398E+00 0.163E+00
DAV: 9 -0.913391203902E+02 0.82482E-01 -0.12991E-01 701 0.154E+00 0.423E-01
DAV: 10 -0.913300988684E+02 0.90215E-02 -0.45887E-02 744 0.111E+00 0.304E-01
DAV: 11 -0.913348220295E+02 -0.47232E-02 -0.13879E-02 610 0.607E-01 0.155E-01
DAV: 12 -0.913377155881E+02 -0.28936E-02 -0.30621E-03 625 0.244E-01 0.116E-01
DAV: 13 -0.913415247937E+02 -0.38092E-02 -0.18139E-03 728 0.234E-01 0.444E-02
DAV: 14 -0.913448665298E+02 -0.33417E-02 -0.56665E-04 661 0.136E-01 0.306E-02
DAV: 15 -0.913463666906E+02 -0.15002E-02 -0.14632E-04 672 0.686E-02 0.340E-02
DAV: 16 -0.913475414426E+02 -0.11748E-02 -0.30096E-04 661 0.949E-02 0.182E-02
DAV: 17 -0.913478912511E+02 -0.34981E-03 -0.44693E-05 688 0.506E-02 0.134E-02
DAV: 18 -0.913481095881E+02 -0.21834E-03 -0.51019E-05 637 0.379E-02 0.119E-02
DAV: 19 -0.913482449326E+02 -0.13534E-03 -0.14238E-05 463 0.227E-02 0.503E-03
DAV: 20 -0.913482838134E+02 -0.38881E-04 -0.12175E-05 456 0.181E-02 0.211E-03
DAV: 21 -0.913483082385E+02 -0.24425E-04 -0.35465E-06 419 0.789E-03 0.176E-03
DAV: 22 -0.913483113763E+02 -0.31378E-05 -0.73190E-07 496 0.405E-03
1 F= -.91348311E+02 E0= -.91353052E+02 d E =0.142221E-01