iterations/neb0_image01_iter258_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 0.362977372583E+03 0.36298E+03 -0.14333E+04 632 0.799E+02
DAV: 2 0.316796075749E+01 -0.35981E+03 -0.34614E+03 831 0.195E+02
DAV: 3 -0.955936329052E+02 -0.98762E+02 -0.98412E+02 664 0.116E+02
DAV: 4 -0.100254891044E+03 -0.46613E+01 -0.46490E+01 688 0.291E+01
DAV: 5 -0.100346307851E+03 -0.91417E-01 -0.91377E-01 744 0.367E+00 0.223E+01
DAV: 6 -0.917068316017E+02 0.86395E+01 -0.30931E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908937582849E+02 0.81307E+00 -0.18335E+00 712 0.639E+00 0.485E+00
DAV: 8 -0.905143974857E+02 0.37936E+00 -0.55731E-01 696 0.431E+00 0.168E+00
DAV: 9 -0.904308166119E+02 0.83581E-01 -0.13496E-01 728 0.165E+00 0.425E-01
DAV: 10 -0.904260083706E+02 0.48082E-02 -0.46014E-02 728 0.124E+00 0.318E-01
DAV: 11 -0.904299038859E+02 -0.38955E-02 -0.66145E-03 608 0.501E-01 0.135E-01
DAV: 12 -0.904335193718E+02 -0.36155E-02 -0.70390E-03 640 0.488E-01 0.132E-01
DAV: 13 -0.904360609544E+02 -0.25416E-02 -0.16145E-03 874 0.312E-01 0.740E-02
DAV: 14 -0.904391000784E+02 -0.30391E-02 -0.12994E-03 642 0.172E-01 0.593E-02
DAV: 15 -0.904410427084E+02 -0.19426E-02 -0.37419E-04 680 0.111E-01 0.482E-02
DAV: 16 -0.904424810890E+02 -0.14384E-02 -0.82591E-04 666 0.173E-01 0.337E-02
DAV: 17 -0.904432123194E+02 -0.73123E-03 -0.12043E-04 672 0.763E-02 0.277E-02
DAV: 18 -0.904435036254E+02 -0.29131E-03 -0.11704E-04 653 0.563E-02 0.958E-03
DAV: 19 -0.904436506569E+02 -0.14703E-03 -0.33770E-05 517 0.304E-02 0.712E-03
DAV: 20 -0.904436801872E+02 -0.29530E-04 -0.49899E-06 488 0.152E-02 0.809E-03
DAV: 21 -0.904437108856E+02 -0.30698E-04 -0.61352E-06 425 0.168E-02 0.418E-03
DAV: 22 -0.904437174026E+02 -0.65170E-05 -0.52472E-06 480 0.130E-02
1 F= -.90443717E+02 E0= -.90449289E+02 d E =0.167146E-01