./iterations/neb0_image06_iter89_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 0.375471544694E+03 0.37547E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.362706416290E+01 -0.37184E+03 -0.35965E+03 877 0.195E+02
DAV: 3 -0.955501476402E+02 -0.99177E+02 -0.98854E+02 648 0.117E+02
DAV: 4 -0.100176679963E+03 -0.46265E+01 -0.46155E+01 704 0.293E+01
DAV: 5 -0.100271377291E+03 -0.94697E-01 -0.94658E-01 744 0.374E+00 0.226E+01
DAV: 6 -0.916386933040E+02 0.86327E+01 -0.30941E+01 706 0.307E+01 0.118E+01
DAV: 7 -0.908119285778E+02 0.82676E+00 -0.17284E+00 720 0.630E+00 0.481E+00
DAV: 8 -0.904321895285E+02 0.37974E+00 -0.51831E-01 712 0.400E+00 0.168E+00
DAV: 9 -0.903395673064E+02 0.92622E-01 -0.13377E-01 720 0.164E+00 0.422E-01
DAV: 10 -0.903300115484E+02 0.95558E-02 -0.41561E-02 728 0.105E+00 0.300E-01
DAV: 11 -0.903345081420E+02 -0.44966E-02 -0.12210E-02 615 0.650E-01 0.162E-01
DAV: 12 -0.903362693244E+02 -0.17612E-02 -0.22512E-03 656 0.263E-01 0.116E-01
DAV: 13 -0.903408842540E+02 -0.46149E-02 -0.28716E-03 654 0.351E-01 0.727E-02
DAV: 14 -0.903426135465E+02 -0.17293E-02 -0.43480E-04 720 0.139E-01 0.506E-02
DAV: 15 -0.903455776384E+02 -0.29641E-02 -0.81546E-04 634 0.157E-01 0.368E-02
DAV: 16 -0.903470573119E+02 -0.14797E-02 -0.18522E-04 693 0.792E-02 0.260E-02
DAV: 17 -0.903476500541E+02 -0.59274E-03 -0.13307E-04 832 0.761E-02 0.144E-02
DAV: 18 -0.903483477780E+02 -0.69772E-03 -0.13451E-04 636 0.735E-02 0.136E-02
DAV: 19 -0.903484989055E+02 -0.15113E-03 -0.20067E-05 493 0.334E-02 0.105E-02
DAV: 20 -0.903485796418E+02 -0.80736E-04 -0.34142E-05 600 0.347E-02 0.496E-03
DAV: 21 -0.903486418379E+02 -0.62196E-04 -0.73889E-06 436 0.176E-02 0.422E-03
DAV: 22 -0.903486716080E+02 -0.29770E-04 -0.38310E-06 431 0.916E-03 0.346E-03
DAV: 23 -0.903486784265E+02 -0.68185E-05 -0.38946E-06 450 0.133E-02
1 F= -.90348678E+02 E0= -.90355239E+02 d E =0.196819E-01