./iterations/neb0_image06_iter31_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 0.371032362082E+03 0.37103E+03 -0.14291E+04 632 0.799E+02
DAV: 2 0.374909417552E+01 -0.36728E+03 -0.35434E+03 866 0.195E+02
DAV: 3 -0.948198509816E+02 -0.98569E+02 -0.98225E+02 645 0.116E+02
DAV: 4 -0.993548025762E+02 -0.45350E+01 -0.45220E+01 728 0.292E+01
DAV: 5 -0.994457775864E+02 -0.90975E-01 -0.90947E-01 720 0.371E+00 0.222E+01
DAV: 6 -0.908580605319E+02 0.85877E+01 -0.30704E+01 682 0.305E+01 0.115E+01
DAV: 7 -0.900376804747E+02 0.82038E+00 -0.16513E+00 720 0.660E+00 0.476E+00
DAV: 8 -0.896664938363E+02 0.37119E+00 -0.51959E-01 696 0.405E+00 0.171E+00
DAV: 9 -0.895812327436E+02 0.85261E-01 -0.14821E-01 720 0.176E+00 0.487E-01
DAV: 10 -0.895714078075E+02 0.98249E-02 -0.23540E-02 736 0.100E+00 0.296E-01
DAV: 11 -0.895728331818E+02 -0.14254E-02 -0.94674E-03 613 0.488E-01 0.152E-01
DAV: 12 -0.895757876700E+02 -0.29545E-02 -0.30053E-03 612 0.381E-01 0.102E-01
DAV: 13 -0.895795750597E+02 -0.37874E-02 -0.13472E-03 633 0.253E-01 0.899E-02
DAV: 14 -0.895825019190E+02 -0.29269E-02 -0.74677E-04 653 0.131E-01 0.408E-02
DAV: 15 -0.895853787828E+02 -0.28769E-02 -0.72891E-04 658 0.140E-01 0.437E-02
DAV: 16 -0.895869012938E+02 -0.15225E-02 -0.32136E-04 712 0.105E-01 0.144E-02
DAV: 17 -0.895876451941E+02 -0.74390E-03 -0.71633E-05 607 0.457E-02 0.113E-02
DAV: 18 -0.895880277393E+02 -0.38255E-03 -0.38421E-05 602 0.279E-02 0.828E-03
DAV: 19 -0.895882309552E+02 -0.20322E-03 -0.24049E-05 533 0.218E-02 0.384E-03
DAV: 20 -0.895882838644E+02 -0.52909E-04 -0.47553E-06 480 0.146E-02 0.182E-03
DAV: 21 -0.895883183715E+02 -0.34507E-04 -0.57796E-06 414 0.997E-03 0.239E-03
DAV: 22 -0.895883238498E+02 -0.54784E-05 -0.10122E-06 496 0.667E-03
1 F= -.89588324E+02 E0= -.89598967E+02 d E =0.319303E-01