iterations/neb0_image05_iter68_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 0.373219461529E+03 0.37322E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.399490537632E+01 -0.36922E+03 -0.35727E+03 877 0.195E+02
DAV: 3 -0.938367113055E+02 -0.97832E+02 -0.97477E+02 640 0.116E+02
DAV: 4 -0.985317938863E+02 -0.46951E+01 -0.46825E+01 712 0.298E+01
DAV: 5 -0.986335792698E+02 -0.10179E+00 -0.10174E+00 736 0.390E+00 0.218E+01
DAV: 6 -0.904028232709E+02 0.82308E+01 -0.28725E+01 688 0.288E+01 0.112E+01
DAV: 7 -0.895623184193E+02 0.84050E+00 -0.17636E+00 728 0.654E+00 0.467E+00
DAV: 8 -0.891833867329E+02 0.37893E+00 -0.59636E-01 696 0.430E+00 0.154E+00
DAV: 9 -0.891006545040E+02 0.82732E-01 -0.12288E-01 712 0.158E+00 0.429E-01
DAV: 10 -0.890898406543E+02 0.10814E-01 -0.48318E-02 725 0.117E+00 0.331E-01
DAV: 11 -0.890922444052E+02 -0.24038E-02 -0.10500E-02 632 0.576E-01 0.117E-01
DAV: 12 -0.890944872537E+02 -0.22428E-02 -0.30049E-03 647 0.276E-01 0.115E-01
DAV: 13 -0.890999556071E+02 -0.54684E-02 -0.20288E-03 804 0.303E-01 0.646E-02
DAV: 14 -0.891022681886E+02 -0.23126E-02 -0.62450E-04 688 0.123E-01 0.437E-02
DAV: 15 -0.891054526978E+02 -0.31845E-02 -0.85875E-04 650 0.164E-01 0.357E-02
DAV: 16 -0.891061884676E+02 -0.73577E-03 -0.10221E-04 776 0.736E-02 0.196E-02
DAV: 17 -0.891072479834E+02 -0.10595E-02 -0.22532E-04 671 0.780E-02 0.145E-02
DAV: 18 -0.891075534445E+02 -0.30546E-03 -0.32812E-05 613 0.395E-02 0.814E-03
DAV: 19 -0.891077190840E+02 -0.16564E-03 -0.27972E-05 562 0.263E-02 0.420E-03
DAV: 20 -0.891077976058E+02 -0.78522E-04 -0.98835E-06 447 0.152E-02 0.328E-03
DAV: 21 -0.891078170900E+02 -0.19484E-04 -0.27094E-06 488 0.742E-03 0.281E-03
DAV: 22 -0.891078262212E+02 -0.91312E-05 -0.32621E-06 417 0.116E-02
1 F= -.89107826E+02 E0= -.89111698E+02 d E =0.116166E-01