iterations/neb0_image09_iter295_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 0.374225838536E+03 0.37423E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.419118608140E+01 -0.37003E+03 -0.35674E+03 858 0.196E+02
DAV: 3 -0.966468885315E+02 -0.10084E+03 -0.10051E+03 664 0.117E+02
DAV: 4 -0.101309355649E+03 -0.46625E+01 -0.46502E+01 712 0.290E+01
DAV: 5 -0.101400699367E+03 -0.91344E-01 -0.91301E-01 736 0.369E+00 0.228E+01
DAV: 6 -0.926872320819E+02 0.87135E+01 -0.31031E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918117660232E+02 0.87547E+00 -0.17322E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914350656726E+02 0.37670E+00 -0.54129E-01 704 0.396E+00 0.163E+00
DAV: 9 -0.913533473411E+02 0.81718E-01 -0.13221E-01 720 0.154E+00 0.423E-01
DAV: 10 -0.913450681091E+02 0.82792E-02 -0.46507E-02 768 0.110E+00 0.308E-01
DAV: 11 -0.913498046590E+02 -0.47365E-02 -0.14383E-02 608 0.626E-01 0.148E-01
DAV: 12 -0.913527380223E+02 -0.29334E-02 -0.29604E-03 620 0.229E-01 0.119E-01
DAV: 13 -0.913566446561E+02 -0.39066E-02 -0.28663E-03 717 0.285E-01 0.569E-02
DAV: 14 -0.913597248222E+02 -0.30802E-02 -0.58320E-04 664 0.125E-01 0.276E-02
DAV: 15 -0.913616570882E+02 -0.19323E-02 -0.19101E-04 656 0.596E-02 0.163E-02
DAV: 16 -0.913625173412E+02 -0.86025E-03 -0.13245E-04 672 0.502E-02 0.164E-02
DAV: 17 -0.913627664352E+02 -0.24909E-03 -0.24505E-05 536 0.299E-02 0.898E-03
DAV: 18 -0.913629363759E+02 -0.16994E-03 -0.27494E-05 554 0.215E-02 0.426E-03
DAV: 19 -0.913629581293E+02 -0.21753E-04 -0.41920E-06 528 0.140E-02 0.197E-03
DAV: 20 -0.913629941115E+02 -0.35982E-04 -0.51753E-06 412 0.104E-02 0.300E-03
DAV: 21 -0.913629990428E+02 -0.49313E-05 -0.87387E-07 496 0.525E-03
1 F= -.91362999E+02 E0= -.91367871E+02 d E =0.146162E-01