iterations/neb0_image07_iter266_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 0.371418577372E+03 0.37142E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.369098327415E+01 -0.36773E+03 -0.35628E+03 866 0.194E+02
DAV: 3 -0.964773709982E+02 -0.10017E+03 -0.99850E+02 672 0.116E+02
DAV: 4 -0.101177884859E+03 -0.47005E+01 -0.46890E+01 712 0.292E+01
DAV: 5 -0.101270445363E+03 -0.92561E-01 -0.92518E-01 728 0.372E+00 0.227E+01
DAV: 6 -0.926230617129E+02 0.86474E+01 -0.30955E+01 701 0.300E+01 0.119E+01
DAV: 7 -0.917669090325E+02 0.85615E+00 -0.17111E+00 736 0.614E+00 0.480E+00
DAV: 8 -0.913910059799E+02 0.37590E+00 -0.54352E-01 736 0.397E+00 0.162E+00
DAV: 9 -0.913079274023E+02 0.83079E-01 -0.12840E-01 720 0.153E+00 0.421E-01
DAV: 10 -0.912986774163E+02 0.92500E-02 -0.43665E-02 741 0.105E+00 0.298E-01
DAV: 11 -0.913035542928E+02 -0.48769E-02 -0.13870E-02 608 0.600E-01 0.160E-01
DAV: 12 -0.913064439809E+02 -0.28897E-02 -0.28272E-03 626 0.248E-01 0.999E-02
DAV: 13 -0.913101963889E+02 -0.37524E-02 -0.19326E-03 649 0.219E-01 0.499E-02
DAV: 14 -0.913138588853E+02 -0.36625E-02 -0.10795E-03 682 0.218E-01 0.440E-02
DAV: 15 -0.913150655719E+02 -0.12067E-02 -0.31118E-04 680 0.101E-01 0.315E-02
DAV: 16 -0.913156921194E+02 -0.62655E-03 -0.16378E-04 741 0.824E-02 0.110E-02
DAV: 17 -0.913166238499E+02 -0.93173E-03 -0.11199E-04 636 0.496E-02 0.146E-02
DAV: 18 -0.913168175766E+02 -0.19373E-03 -0.10833E-05 496 0.178E-02 0.106E-02
DAV: 19 -0.913169886562E+02 -0.17108E-03 -0.49545E-05 611 0.394E-02 0.548E-03
DAV: 20 -0.913169957841E+02 -0.71279E-05 -0.40413E-06 536 0.126E-02
1 F= -.91316996E+02 E0= -.91321477E+02 d E =0.134437E-01