iterations/neb0_image08_iter266_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 0.374266031549E+03 0.37427E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.403309953681E+01 -0.37023E+03 -0.35791E+03 869 0.196E+02
DAV: 3 -0.967292184554E+02 -0.10076E+03 -0.10044E+03 669 0.117E+02
DAV: 4 -0.101268124739E+03 -0.45389E+01 -0.45264E+01 712 0.285E+01
DAV: 5 -0.101355782564E+03 -0.87658E-01 -0.87610E-01 728 0.360E+00 0.227E+01
DAV: 6 -0.926570065482E+02 0.86988E+01 -0.31055E+01 714 0.301E+01 0.119E+01
DAV: 7 -0.917928491842E+02 0.86416E+00 -0.17209E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.914184624201E+02 0.37439E+00 -0.53489E-01 720 0.393E+00 0.163E+00
DAV: 9 -0.913377551577E+02 0.80707E-01 -0.13279E-01 728 0.155E+00 0.421E-01
DAV: 10 -0.913296624651E+02 0.80927E-02 -0.46277E-02 760 0.111E+00 0.306E-01
DAV: 11 -0.913346626536E+02 -0.50002E-02 -0.15466E-02 616 0.648E-01 0.159E-01
DAV: 12 -0.913373943187E+02 -0.27317E-02 -0.29631E-03 626 0.239E-01 0.114E-01
DAV: 13 -0.913411706955E+02 -0.37764E-02 -0.28833E-03 639 0.279E-01 0.586E-02
DAV: 14 -0.913444618216E+02 -0.32911E-02 -0.10073E-03 664 0.185E-01 0.300E-02
DAV: 15 -0.913458022589E+02 -0.13404E-02 -0.19368E-04 672 0.750E-02 0.191E-02
DAV: 16 -0.913467621238E+02 -0.95986E-03 -0.14567E-04 631 0.723E-02 0.107E-02
DAV: 17 -0.913472193353E+02 -0.45721E-03 -0.43018E-05 672 0.291E-02 0.114E-02
DAV: 18 -0.913473218895E+02 -0.10255E-03 -0.10399E-05 504 0.227E-02 0.579E-03
DAV: 19 -0.913474758564E+02 -0.15397E-03 -0.28219E-05 516 0.250E-02 0.514E-03
DAV: 20 -0.913474887491E+02 -0.12893E-04 -0.22420E-06 520 0.118E-02 0.288E-03
DAV: 21 -0.913475071488E+02 -0.18400E-04 -0.56680E-06 409 0.144E-02 0.250E-03
DAV: 22 -0.913475137698E+02 -0.66210E-05 -0.11988E-06 461 0.707E-03
1 F= -.91347514E+02 E0= -.91352455E+02 d E =0.148237E-01