./iterations/neb0_image07_iter279_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 0.375211997534E+03 0.37521E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.467361508289E+01 -0.37054E+03 -0.35928E+03 866 0.195E+02
DAV: 3 -0.964601756349E+02 -0.10113E+03 -0.10083E+03 664 0.117E+02
DAV: 4 -0.101210420075E+03 -0.47502E+01 -0.47384E+01 704 0.295E+01
DAV: 5 -0.101303785106E+03 -0.93365E-01 -0.93320E-01 728 0.374E+00 0.227E+01
DAV: 6 -0.926324805660E+02 0.86713E+01 -0.30991E+01 720 0.300E+01 0.119E+01
DAV: 7 -0.917598228047E+02 0.87266E+00 -0.17094E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.913815860267E+02 0.37824E+00 -0.54998E-01 736 0.400E+00 0.161E+00
DAV: 9 -0.912990441492E+02 0.82542E-01 -0.12753E-01 736 0.152E+00 0.423E-01
DAV: 10 -0.912898011460E+02 0.92430E-02 -0.43390E-02 725 0.105E+00 0.296E-01
DAV: 11 -0.912947023024E+02 -0.49012E-02 -0.12756E-02 610 0.573E-01 0.150E-01
DAV: 12 -0.912980260393E+02 -0.33237E-02 -0.30937E-03 609 0.239E-01 0.109E-01
DAV: 13 -0.913018155526E+02 -0.37895E-02 -0.20679E-03 694 0.244E-01 0.494E-02
DAV: 14 -0.913051242583E+02 -0.33087E-02 -0.74158E-04 653 0.163E-01 0.288E-02
DAV: 15 -0.913064637810E+02 -0.13395E-02 -0.17309E-04 680 0.739E-02 0.237E-02
DAV: 16 -0.913074984773E+02 -0.10347E-02 -0.22619E-04 693 0.963E-02 0.177E-02
DAV: 17 -0.913079749644E+02 -0.47649E-03 -0.49285E-05 674 0.438E-02 0.135E-02
DAV: 18 -0.913081451787E+02 -0.17021E-03 -0.33425E-05 664 0.309E-02 0.669E-03
DAV: 19 -0.913083118743E+02 -0.16670E-03 -0.15506E-05 476 0.161E-02 0.228E-03
DAV: 20 -0.913083498011E+02 -0.37927E-04 -0.41431E-06 496 0.838E-03 0.143E-03
DAV: 21 -0.913083705124E+02 -0.20711E-04 -0.31453E-06 397 0.632E-03 0.113E-03
DAV: 22 -0.913083709413E+02 -0.42894E-06 -0.43331E-07 536 0.263E-03
1 F= -.91308371E+02 E0= -.91312945E+02 d E =0.137220E-01