./iterations/neb0_image08_iter78_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 0.376427277945E+03 0.37643E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.381168310871E+01 -0.37262E+03 -0.35915E+03 869 0.196E+02
DAV: 3 -0.968403613204E+02 -0.10065E+03 -0.10032E+03 696 0.117E+02
DAV: 4 -0.101143154283E+03 -0.43028E+01 -0.42931E+01 688 0.272E+01
DAV: 5 -0.101227592352E+03 -0.84438E-01 -0.84401E-01 728 0.341E+00 0.227E+01
DAV: 6 -0.925843394916E+02 0.86433E+01 -0.30818E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.917112207514E+02 0.87312E+00 -0.16933E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913305023102E+02 0.38072E+00 -0.55696E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.912470267842E+02 0.83476E-01 -0.13026E-01 712 0.155E+00 0.427E-01
DAV: 10 -0.912375983254E+02 0.94285E-02 -0.47734E-02 728 0.113E+00 0.310E-01
DAV: 11 -0.912423654633E+02 -0.47671E-02 -0.14494E-02 624 0.622E-01 0.159E-01
DAV: 12 -0.912453156271E+02 -0.29502E-02 -0.33138E-03 615 0.253E-01 0.132E-01
DAV: 13 -0.912491279194E+02 -0.38123E-02 -0.21609E-03 765 0.268E-01 0.470E-02
DAV: 14 -0.912522360333E+02 -0.31081E-02 -0.49457E-04 648 0.109E-01 0.405E-02
DAV: 15 -0.912544535102E+02 -0.22175E-02 -0.20535E-04 661 0.650E-02 0.360E-02
DAV: 16 -0.912554514759E+02 -0.99797E-03 -0.36375E-04 669 0.951E-02 0.233E-02
DAV: 17 -0.912557197757E+02 -0.26830E-03 -0.59084E-05 672 0.545E-02 0.125E-02
DAV: 18 -0.912559477864E+02 -0.22801E-03 -0.45238E-05 620 0.294E-02 0.102E-02
DAV: 19 -0.912559803400E+02 -0.32554E-04 -0.58913E-06 504 0.196E-02 0.476E-03
DAV: 20 -0.912560162404E+02 -0.35900E-04 -0.12001E-05 398 0.212E-02 0.452E-03
DAV: 21 -0.912560386091E+02 -0.22369E-04 -0.30245E-06 464 0.929E-03 0.324E-03
DAV: 22 -0.912560441457E+02 -0.55366E-05 -0.22450E-06 434 0.938E-03
1 F= -.91256044E+02 E0= -.91261215E+02 d E =0.155117E-01