./iterations/neb0_image06_iter162_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 0.371179292546E+03 0.37118E+03 -0.14344E+04 640 0.799E+02
DAV: 2 0.352864824162E+01 -0.36765E+03 -0.35594E+03 877 0.193E+02
DAV: 3 -0.960653264724E+02 -0.99594E+02 -0.99266E+02 690 0.116E+02
DAV: 4 -0.100518707048E+03 -0.44534E+01 -0.44413E+01 704 0.276E+01
DAV: 5 -0.100605851031E+03 -0.87144E-01 -0.87097E-01 736 0.347E+00 0.226E+01
DAV: 6 -0.920060638062E+02 0.85998E+01 -0.30839E+01 725 0.305E+01 0.119E+01
DAV: 7 -0.911831536775E+02 0.82291E+00 -0.17305E+00 712 0.629E+00 0.481E+00
DAV: 8 -0.908075723365E+02 0.37558E+00 -0.52782E-01 728 0.400E+00 0.171E+00
DAV: 9 -0.907150248290E+02 0.92548E-01 -0.13467E-01 720 0.161E+00 0.425E-01
DAV: 10 -0.907048611275E+02 0.10164E-01 -0.33488E-02 760 0.919E-01 0.277E-01
DAV: 11 -0.907086299614E+02 -0.37688E-02 -0.90092E-03 602 0.491E-01 0.143E-01
DAV: 12 -0.907113216936E+02 -0.26917E-02 -0.19557E-03 656 0.268E-01 0.817E-02
DAV: 13 -0.907155166404E+02 -0.41949E-02 -0.20951E-03 639 0.222E-01 0.728E-02
DAV: 14 -0.907187941974E+02 -0.32776E-02 -0.15469E-03 749 0.300E-01 0.525E-02
DAV: 15 -0.907205213433E+02 -0.17271E-02 -0.43367E-04 717 0.119E-01 0.480E-02
DAV: 16 -0.907219368209E+02 -0.14155E-02 -0.42776E-04 735 0.124E-01 0.214E-02
DAV: 17 -0.907227448144E+02 -0.80799E-03 -0.19136E-04 720 0.689E-02 0.186E-02
DAV: 18 -0.907230383526E+02 -0.29354E-03 -0.23326E-05 543 0.242E-02 0.133E-02
DAV: 19 -0.907231776300E+02 -0.13928E-03 -0.48004E-05 640 0.412E-02 0.501E-03
DAV: 20 -0.907231958056E+02 -0.18176E-04 -0.55115E-06 512 0.152E-02 0.428E-03
DAV: 21 -0.907232336774E+02 -0.37872E-04 -0.72415E-06 401 0.143E-02 0.269E-03
DAV: 22 -0.907232382782E+02 -0.46008E-05 -0.12528E-06 512 0.701E-03
1 F= -.90723238E+02 E0= -.90728411E+02 d E =0.155193E-01