./iterations/neb0_image03_iter172_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 0.364110616993E+03 0.36411E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.246310408800E+00 -0.36386E+03 -0.35374E+03 861 0.195E+02
DAV: 3 -0.960900533460E+02 -0.96336E+02 -0.96022E+02 672 0.115E+02
DAV: 4 -0.100251615512E+03 -0.41616E+01 -0.41508E+01 712 0.275E+01
DAV: 5 -0.100332896375E+03 -0.81281E-01 -0.81247E-01 736 0.346E+00 0.222E+01
DAV: 6 -0.917173738474E+02 0.86155E+01 -0.30953E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908768419090E+02 0.84053E+00 -0.18087E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904788857445E+02 0.39796E+00 -0.54939E-01 704 0.426E+00 0.169E+00
DAV: 9 -0.903816567308E+02 0.97229E-01 -0.13210E-01 704 0.198E+00 0.443E-01
DAV: 10 -0.903740349466E+02 0.76218E-02 -0.46063E-02 712 0.114E+00 0.348E-01
DAV: 11 -0.903791062994E+02 -0.50714E-02 -0.17842E-02 602 0.878E-01 0.202E-01
DAV: 12 -0.903796577429E+02 -0.55144E-03 -0.63586E-03 648 0.504E-01 0.139E-01
DAV: 13 -0.903840745028E+02 -0.44168E-02 -0.66991E-03 618 0.524E-01 0.110E-01
DAV: 14 -0.903865589008E+02 -0.24844E-02 -0.10195E-03 752 0.202E-01 0.709E-02
DAV: 15 -0.903890852681E+02 -0.25264E-02 -0.71834E-04 650 0.132E-01 0.250E-02
DAV: 16 -0.903911376944E+02 -0.20524E-02 -0.29681E-04 709 0.808E-02 0.257E-02
DAV: 17 -0.903920189084E+02 -0.88121E-03 -0.82553E-05 744 0.779E-02 0.145E-02
DAV: 18 -0.903927266246E+02 -0.70772E-03 -0.16643E-04 716 0.836E-02 0.147E-02
DAV: 19 -0.903929079553E+02 -0.18133E-03 -0.31272E-05 560 0.368E-02 0.727E-03
DAV: 20 -0.903929937609E+02 -0.85806E-04 -0.14490E-05 453 0.213E-02 0.584E-03
DAV: 21 -0.903930731889E+02 -0.79428E-04 -0.13460E-05 481 0.318E-02 0.571E-03
DAV: 22 -0.903930826257E+02 -0.94368E-05 -0.17591E-05 568 0.324E-02
1 F= -.90393083E+02 E0= -.90400237E+02 d E =0.214636E-01