./iterations/neb0_image04_iter12_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 0.359347219842E+03 0.35935E+03 -0.14253E+04 632 0.799E+02
DAV: 2 0.612729588371E+01 -0.35322E+03 -0.34038E+03 834 0.193E+02
DAV: 3 -0.925169660271E+02 -0.98644E+02 -0.98175E+02 656 0.115E+02
DAV: 4 -0.974687761819E+02 -0.49518E+01 -0.49365E+01 712 0.298E+01
DAV: 5 -0.975747668820E+02 -0.10599E+00 -0.10593E+00 728 0.386E+00 0.212E+01
DAV: 6 -0.891980980552E+02 0.83767E+01 -0.31147E+01 695 0.298E+01 0.110E+01
DAV: 7 -0.884830088167E+02 0.71509E+00 -0.16258E+00 736 0.654E+00 0.472E+00
DAV: 8 -0.881237664484E+02 0.35924E+00 -0.61739E-01 720 0.440E+00 0.168E+00
DAV: 9 -0.880424237303E+02 0.81343E-01 -0.13248E-01 720 0.174E+00 0.439E-01
DAV: 10 -0.880358400122E+02 0.65837E-02 -0.29138E-02 725 0.779E-01 0.294E-01
DAV: 11 -0.880410816829E+02 -0.52417E-02 -0.19126E-02 605 0.874E-01 0.229E-01
DAV: 12 -0.880410402733E+02 0.41410E-04 -0.38714E-03 736 0.402E-01 0.155E-01
DAV: 13 -0.880447337842E+02 -0.36935E-02 -0.77505E-03 689 0.584E-01 0.120E-01
DAV: 14 -0.880470267777E+02 -0.22930E-02 -0.13004E-03 677 0.209E-01 0.895E-02
DAV: 15 -0.880488788928E+02 -0.18521E-02 -0.14005E-03 696 0.217E-01 0.313E-02
DAV: 16 -0.880506553669E+02 -0.17765E-02 -0.22363E-04 674 0.856E-02 0.150E-02
DAV: 17 -0.880515087820E+02 -0.85342E-03 -0.73241E-05 613 0.356E-02 0.116E-02
DAV: 18 -0.880521495492E+02 -0.64077E-03 -0.74448E-05 602 0.444E-02 0.768E-03
DAV: 19 -0.880522656328E+02 -0.11608E-03 -0.85770E-06 501 0.173E-02 0.613E-03
DAV: 20 -0.880523697781E+02 -0.10415E-03 -0.28063E-05 502 0.328E-02 0.565E-03
DAV: 21 -0.880523867330E+02 -0.16955E-04 -0.44245E-06 488 0.149E-02 0.471E-03
DAV: 22 -0.880524057282E+02 -0.18995E-04 -0.58520E-06 419 0.143E-02 0.264E-03
DAV: 23 -0.880524140268E+02 -0.82986E-05 -0.24891E-06 482 0.923E-03
1 F= -.88052414E+02 E0= -.88056282E+02 d E =0.116031E-01