iterations/neb0_image07_iter124_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 0.376173094035E+03 0.37617E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.332344783999E+01 -0.37285E+03 -0.36036E+03 877 0.196E+02
DAV: 3 -0.964048551477E+02 -0.99728E+02 -0.99397E+02 661 0.117E+02
DAV: 4 -0.100997484284E+03 -0.45926E+01 -0.45810E+01 696 0.286E+01
DAV: 5 -0.101090801536E+03 -0.93317E-01 -0.93276E-01 720 0.366E+00 0.226E+01
DAV: 6 -0.924907228538E+02 0.86001E+01 -0.30712E+01 709 0.302E+01 0.119E+01
DAV: 7 -0.916317844484E+02 0.85894E+00 -0.16656E+00 720 0.612E+00 0.481E+00
DAV: 8 -0.912525731815E+02 0.37921E+00 -0.55730E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.911693253904E+02 0.83248E-01 -0.13068E-01 720 0.155E+00 0.425E-01
DAV: 10 -0.911598100176E+02 0.95154E-02 -0.47682E-02 749 0.111E+00 0.309E-01
DAV: 11 -0.911648291474E+02 -0.50191E-02 -0.14166E-02 616 0.624E-01 0.157E-01
DAV: 12 -0.911675287505E+02 -0.26996E-02 -0.31096E-03 639 0.247E-01 0.143E-01
DAV: 13 -0.911715253568E+02 -0.39966E-02 -0.32360E-03 714 0.331E-01 0.607E-02
DAV: 14 -0.911739664315E+02 -0.24411E-02 -0.47670E-04 664 0.109E-01 0.545E-02
DAV: 15 -0.911764839850E+02 -0.25176E-02 -0.33193E-04 629 0.858E-02 0.290E-02
DAV: 16 -0.911774265711E+02 -0.94259E-03 -0.29799E-04 688 0.836E-02 0.274E-02
DAV: 17 -0.911779365980E+02 -0.51003E-03 -0.10305E-04 634 0.600E-02 0.954E-03
DAV: 18 -0.911780786692E+02 -0.14207E-03 -0.17035E-05 496 0.227E-02 0.656E-03
DAV: 19 -0.911781362509E+02 -0.57582E-04 -0.10792E-05 448 0.200E-02 0.292E-03
DAV: 20 -0.911781762631E+02 -0.40012E-04 -0.40424E-06 420 0.985E-03 0.206E-03
DAV: 21 -0.911781927410E+02 -0.16478E-04 -0.23273E-06 453 0.623E-03 0.152E-03
DAV: 22 -0.911781964866E+02 -0.37456E-05 -0.72559E-07 488 0.414E-03
1 F= -.91178196E+02 E0= -.91183436E+02 d E =0.157176E-01