./iterations/neb0_image06_iter251_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 0.373750698553E+03 0.37375E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.503528311233E+01 -0.36872E+03 -0.35630E+03 855 0.194E+02
DAV: 3 -0.951364691075E+02 -0.10017E+03 -0.99787E+02 664 0.117E+02
DAV: 4 -0.999202354314E+02 -0.47838E+01 -0.47687E+01 728 0.290E+01
DAV: 5 -0.100019711301E+03 -0.99476E-01 -0.99426E-01 720 0.371E+00 0.225E+01
DAV: 6 -0.914751688098E+02 0.85445E+01 -0.30164E+01 685 0.303E+01 0.118E+01
DAV: 7 -0.906501002573E+02 0.82507E+00 -0.17277E+00 720 0.633E+00 0.480E+00
DAV: 8 -0.902758997919E+02 0.37420E+00 -0.56027E-01 728 0.416E+00 0.167E+00
DAV: 9 -0.901864815423E+02 0.89418E-01 -0.12820E-01 720 0.161E+00 0.432E-01
DAV: 10 -0.901767043762E+02 0.97772E-02 -0.34597E-02 728 0.919E-01 0.286E-01
DAV: 11 -0.901807230202E+02 -0.40186E-02 -0.10528E-02 605 0.564E-01 0.165E-01
DAV: 12 -0.901824966770E+02 -0.17737E-02 -0.33662E-03 640 0.346E-01 0.887E-02
DAV: 13 -0.901867754690E+02 -0.42788E-02 -0.23141E-03 617 0.239E-01 0.813E-02
DAV: 14 -0.901890869000E+02 -0.23114E-02 -0.58219E-04 816 0.180E-01 0.325E-02
DAV: 15 -0.901920107975E+02 -0.29239E-02 -0.52983E-04 630 0.114E-01 0.361E-02
DAV: 16 -0.901936816274E+02 -0.16708E-02 -0.25716E-04 834 0.104E-01 0.187E-02
DAV: 17 -0.901944757731E+02 -0.79415E-03 -0.13098E-04 669 0.552E-02 0.159E-02
DAV: 18 -0.901947071242E+02 -0.23135E-03 -0.27230E-05 557 0.284E-02 0.910E-03
DAV: 19 -0.901948589103E+02 -0.15179E-03 -0.31299E-05 510 0.295E-02 0.407E-03
DAV: 20 -0.901948893374E+02 -0.30427E-04 -0.32052E-06 488 0.108E-02 0.295E-03
DAV: 21 -0.901949101573E+02 -0.20820E-04 -0.37438E-06 392 0.101E-02 0.929E-04
DAV: 22 -0.901949159509E+02 -0.57937E-05 -0.94956E-07 469 0.436E-03
1 F= -.90194916E+02 E0= -.90199163E+02 d E =0.127405E-01