./iterations/neb0_image08_iter248_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 0.374610992587E+03 0.37461E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.382821559034E+01 -0.37078E+03 -0.35832E+03 869 0.196E+02
DAV: 3 -0.967990618450E+02 -0.10063E+03 -0.10031E+03 672 0.117E+02
DAV: 4 -0.101302131788E+03 -0.45031E+01 -0.44907E+01 720 0.285E+01
DAV: 5 -0.101388865583E+03 -0.86734E-01 -0.86686E-01 736 0.358E+00 0.228E+01
DAV: 6 -0.926711800979E+02 0.87177E+01 -0.30995E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.917940724036E+02 0.87711E+00 -0.17305E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914176102078E+02 0.37646E+00 -0.54388E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913381227276E+02 0.79487E-01 -0.13317E-01 736 0.156E+00 0.420E-01
DAV: 10 -0.913301903887E+02 0.79323E-02 -0.46297E-02 720 0.111E+00 0.308E-01
DAV: 11 -0.913350918748E+02 -0.49015E-02 -0.15437E-02 616 0.645E-01 0.159E-01
DAV: 12 -0.913378948237E+02 -0.28029E-02 -0.28731E-03 620 0.234E-01 0.115E-01
DAV: 13 -0.913415526946E+02 -0.36579E-02 -0.27932E-03 645 0.277E-01 0.559E-02
DAV: 14 -0.913446408697E+02 -0.30882E-02 -0.83969E-04 653 0.171E-01 0.262E-02
DAV: 15 -0.913460831900E+02 -0.14423E-02 -0.17465E-04 672 0.711E-02 0.195E-02
DAV: 16 -0.913471297311E+02 -0.10465E-02 -0.13955E-04 650 0.662E-02 0.101E-02
DAV: 17 -0.913476148478E+02 -0.48512E-03 -0.42645E-05 589 0.290E-02 0.106E-02
DAV: 18 -0.913477875434E+02 -0.17270E-03 -0.22532E-05 552 0.291E-02 0.447E-03
DAV: 19 -0.913478776042E+02 -0.90061E-04 -0.11344E-05 439 0.148E-02 0.333E-03
DAV: 20 -0.913478949463E+02 -0.17342E-04 -0.25057E-06 512 0.727E-03 0.208E-03
DAV: 21 -0.913479074592E+02 -0.12513E-04 -0.27222E-06 409 0.104E-02 0.171E-03
DAV: 22 -0.913479105410E+02 -0.30817E-05 -0.99900E-07 469 0.467E-03
1 F= -.91347911E+02 E0= -.91352879E+02 d E =0.149057E-01