./iterations/neb0_image03_iter275_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 0.364315715342E+03 0.36432E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.927631092939E+00 -0.36339E+03 -0.35114E+03 853 0.195E+02
DAV: 3 -0.960894730086E+02 -0.97017E+02 -0.96718E+02 661 0.116E+02
DAV: 4 -0.100375118032E+03 -0.42856E+01 -0.42759E+01 712 0.281E+01
DAV: 5 -0.100457152411E+03 -0.82034E-01 -0.82011E-01 736 0.351E+00 0.224E+01
DAV: 6 -0.917207414799E+02 0.87364E+01 -0.31428E+01 680 0.300E+01 0.118E+01
DAV: 7 -0.908705946756E+02 0.85015E+00 -0.18072E+00 712 0.631E+00 0.485E+00
DAV: 8 -0.904801040748E+02 0.39049E+00 -0.55227E-01 696 0.425E+00 0.171E+00
DAV: 9 -0.903896697333E+02 0.90434E-01 -0.13615E-01 712 0.169E+00 0.437E-01
DAV: 10 -0.903836655784E+02 0.60042E-02 -0.44834E-02 720 0.118E+00 0.326E-01
DAV: 11 -0.903877669959E+02 -0.41014E-02 -0.66164E-03 632 0.575E-01 0.122E-01
DAV: 12 -0.903909661617E+02 -0.31992E-02 -0.45386E-03 613 0.336E-01 0.107E-01
DAV: 13 -0.903952124344E+02 -0.42463E-02 -0.11108E-03 706 0.202E-01 0.797E-02
DAV: 14 -0.903987780853E+02 -0.35657E-02 -0.14593E-03 637 0.175E-01 0.488E-02
DAV: 15 -0.904004747359E+02 -0.16967E-02 -0.19153E-04 688 0.884E-02 0.276E-02
DAV: 16 -0.904022348550E+02 -0.17601E-02 -0.57665E-04 652 0.133E-01 0.363E-02
DAV: 17 -0.904023872527E+02 -0.15240E-03 -0.60693E-05 728 0.600E-02 0.240E-02
DAV: 18 -0.904027174188E+02 -0.33017E-03 -0.10211E-04 625 0.563E-02 0.880E-03
DAV: 19 -0.904030100245E+02 -0.29261E-03 -0.34424E-05 585 0.260E-02 0.631E-03
DAV: 20 -0.904031045962E+02 -0.94572E-04 -0.97992E-06 464 0.150E-02 0.489E-03
DAV: 21 -0.904031456378E+02 -0.41042E-04 -0.91051E-06 463 0.156E-02 0.151E-03
DAV: 22 -0.904031566040E+02 -0.10966E-04 -0.25492E-06 480 0.774E-03 0.178E-03
DAV: 23 -0.904031589211E+02 -0.23171E-05 -0.64599E-07 480 0.489E-03
1 F= -.90403159E+02 E0= -.90411547E+02 d E =0.251647E-01