./iterations/neb0_image05_iter24_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 0.363712493084E+03 0.36371E+03 -0.14267E+04 632 0.799E+02
DAV: 2 0.501490411044E+01 -0.35870E+03 -0.34661E+03 861 0.193E+02
DAV: 3 -0.926744153771E+02 -0.97689E+02 -0.97209E+02 664 0.115E+02
DAV: 4 -0.973600343610E+02 -0.46856E+01 -0.46698E+01 720 0.288E+01
DAV: 5 -0.974596816958E+02 -0.99647E-01 -0.99593E-01 728 0.373E+00 0.213E+01
DAV: 6 -0.892219873840E+02 0.82377E+01 -0.30498E+01 696 0.298E+01 0.110E+01
DAV: 7 -0.884974047414E+02 0.72458E+00 -0.15837E+00 712 0.666E+00 0.470E+00
DAV: 8 -0.881440520083E+02 0.35335E+00 -0.62597E-01 712 0.439E+00 0.166E+00
DAV: 9 -0.880622271839E+02 0.81825E-01 -0.13222E-01 728 0.176E+00 0.460E-01
DAV: 10 -0.880535852664E+02 0.86419E-02 -0.21901E-02 736 0.775E-01 0.288E-01
DAV: 11 -0.880562646614E+02 -0.26794E-02 -0.13796E-02 605 0.769E-01 0.164E-01
DAV: 12 -0.880577833722E+02 -0.15187E-02 -0.24503E-03 666 0.367E-01 0.114E-01
DAV: 13 -0.880622105374E+02 -0.44272E-02 -0.50921E-03 612 0.436E-01 0.111E-01
DAV: 14 -0.880646150409E+02 -0.24045E-02 -0.12373E-03 821 0.276E-01 0.496E-02
DAV: 15 -0.880667879134E+02 -0.21729E-02 -0.12404E-03 653 0.217E-01 0.571E-02
DAV: 16 -0.880683192592E+02 -0.15313E-02 -0.35805E-04 829 0.145E-01 0.277E-02
DAV: 17 -0.880690124551E+02 -0.69320E-03 -0.22439E-04 701 0.881E-02 0.156E-02
DAV: 18 -0.880698006091E+02 -0.78815E-03 -0.89181E-05 641 0.460E-02 0.103E-02
DAV: 19 -0.880700473949E+02 -0.24679E-03 -0.24163E-05 557 0.260E-02 0.560E-03
DAV: 20 -0.880701845743E+02 -0.13718E-03 -0.15651E-05 447 0.178E-02 0.181E-03
DAV: 21 -0.880702310635E+02 -0.46489E-04 -0.55592E-06 485 0.843E-03 0.161E-03
DAV: 22 -0.880702468619E+02 -0.15798E-04 -0.24268E-06 434 0.578E-03 0.537E-04
DAV: 23 -0.880702503201E+02 -0.34582E-05 -0.90668E-07 482 0.365E-03
1 F= -.88070250E+02 E0= -.88074132E+02 d E =0.116447E-01