iterations/neb0_image08_iter239_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 0.374423783916E+03 0.37442E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.380311059298E+01 -0.37062E+03 -0.35821E+03 869 0.196E+02
DAV: 3 -0.967959172691E+02 -0.10060E+03 -0.10028E+03 672 0.117E+02
DAV: 4 -0.101306043934E+03 -0.45101E+01 -0.44977E+01 720 0.284E+01
DAV: 5 -0.101392849434E+03 -0.86806E-01 -0.86756E-01 736 0.358E+00 0.228E+01
DAV: 6 -0.926702656748E+02 0.87226E+01 -0.31007E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917897491372E+02 0.88052E+00 -0.17331E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.914123888821E+02 0.37736E+00 -0.54228E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913326765596E+02 0.79712E-01 -0.13434E-01 736 0.156E+00 0.421E-01
DAV: 10 -0.913250000891E+02 0.76765E-02 -0.46523E-02 728 0.112E+00 0.307E-01
DAV: 11 -0.913300139482E+02 -0.50139E-02 -0.15946E-02 624 0.657E-01 0.162E-01
DAV: 12 -0.913327691091E+02 -0.27552E-02 -0.30191E-03 631 0.237E-01 0.115E-01
DAV: 13 -0.913364562240E+02 -0.36871E-02 -0.29771E-03 642 0.287E-01 0.595E-02
DAV: 14 -0.913395300792E+02 -0.30739E-02 -0.96808E-04 664 0.179E-01 0.285E-02
DAV: 15 -0.913409480907E+02 -0.14180E-02 -0.18937E-04 664 0.753E-02 0.178E-02
DAV: 16 -0.913420348804E+02 -0.10868E-02 -0.13943E-04 644 0.624E-02 0.997E-03
DAV: 17 -0.913424502982E+02 -0.41542E-03 -0.34992E-05 608 0.268E-02 0.971E-03
DAV: 18 -0.913426256280E+02 -0.17533E-03 -0.24183E-05 525 0.301E-02 0.412E-03
DAV: 19 -0.913427032460E+02 -0.77618E-04 -0.85185E-06 461 0.131E-02 0.335E-03
DAV: 20 -0.913427210791E+02 -0.17833E-04 -0.28088E-06 488 0.848E-03 0.159E-03
DAV: 21 -0.913427345150E+02 -0.13436E-04 -0.23747E-06 417 0.836E-03 0.163E-03
DAV: 22 -0.913427369417E+02 -0.24267E-05 -0.69379E-07 472 0.393E-03
1 F= -.91342737E+02 E0= -.91347744E+02 d E =0.150214E-01