iterations/neb0_image05_iter159_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 0.366266313238E+03 0.36627E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.165903110474E+01 -0.36461E+03 -0.35140E+03 869 0.193E+02
DAV: 3 -0.953249415741E+02 -0.96984E+02 -0.96646E+02 664 0.115E+02
DAV: 4 -0.997423512337E+02 -0.44174E+01 -0.44073E+01 720 0.282E+01
DAV: 5 -0.998306115068E+02 -0.88260E-01 -0.88225E-01 728 0.356E+00 0.219E+01
DAV: 6 -0.914322378923E+02 0.83984E+01 -0.30300E+01 672 0.296E+01 0.115E+01
DAV: 7 -0.906502069896E+02 0.78203E+00 -0.17782E+00 736 0.630E+00 0.479E+00
DAV: 8 -0.902757817284E+02 0.37443E+00 -0.54212E-01 720 0.424E+00 0.167E+00
DAV: 9 -0.901861671439E+02 0.89615E-01 -0.12869E-01 720 0.161E+00 0.431E-01
DAV: 10 -0.901780384157E+02 0.81287E-02 -0.52291E-02 736 0.129E+00 0.340E-01
DAV: 11 -0.901813731262E+02 -0.33347E-02 -0.77547E-03 632 0.627E-01 0.138E-01
DAV: 12 -0.901835508341E+02 -0.21777E-02 -0.57429E-03 624 0.395E-01 0.122E-01
DAV: 13 -0.901860277039E+02 -0.24769E-02 -0.11001E-03 761 0.210E-01 0.845E-02
DAV: 14 -0.901900342462E+02 -0.40065E-02 -0.22028E-03 655 0.229E-01 0.658E-02
DAV: 15 -0.901923684686E+02 -0.23342E-02 -0.34790E-04 752 0.120E-01 0.345E-02
DAV: 16 -0.901943102589E+02 -0.19418E-02 -0.61997E-04 679 0.126E-01 0.371E-02
DAV: 17 -0.901946274137E+02 -0.31715E-03 -0.65780E-05 768 0.602E-02 0.258E-02
DAV: 18 -0.901950972051E+02 -0.46979E-03 -0.83263E-05 644 0.480E-02 0.885E-03
DAV: 19 -0.901954699854E+02 -0.37278E-03 -0.41456E-05 602 0.277E-02 0.497E-03
DAV: 20 -0.901955544188E+02 -0.84433E-04 -0.53819E-06 496 0.122E-02 0.360E-03
DAV: 21 -0.901956050873E+02 -0.50669E-04 -0.85899E-06 431 0.124E-02 0.205E-03
DAV: 22 -0.901956065866E+02 -0.14993E-05 -0.97185E-07 536 0.496E-03
1 F= -.90195607E+02 E0= -.90204048E+02 d E =0.253234E-01