iterations/neb0_image04_iter286_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 0.365226688457E+03 0.36523E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.140070686544E+00 -0.36509E+03 -0.35423E+03 866 0.195E+02
DAV: 3 -0.960320589596E+02 -0.96172E+02 -0.95879E+02 656 0.115E+02
DAV: 4 -0.100340023783E+03 -0.43080E+01 -0.42998E+01 720 0.279E+01
DAV: 5 -0.100424842126E+03 -0.84818E-01 -0.84793E-01 728 0.349E+00 0.223E+01
DAV: 6 -0.916685072751E+02 0.87563E+01 -0.31658E+01 672 0.301E+01 0.117E+01
DAV: 7 -0.908346927396E+02 0.83381E+00 -0.18336E+00 720 0.648E+00 0.484E+00
DAV: 8 -0.904276350920E+02 0.40706E+00 -0.54095E-01 696 0.445E+00 0.178E+00
DAV: 9 -0.903353949977E+02 0.92240E-01 -0.14850E-01 712 0.214E+00 0.556E-01
DAV: 10 -0.903216154412E+02 0.13780E-01 -0.36228E-02 720 0.100E+00 0.351E-01
DAV: 11 -0.903239601703E+02 -0.23447E-02 -0.13009E-02 688 0.681E-01 0.305E-01
DAV: 12 -0.903253123776E+02 -0.13522E-02 -0.41571E-03 752 0.653E-01 0.154E-01
DAV: 13 -0.903286649853E+02 -0.33526E-02 -0.32705E-03 626 0.381E-01 0.978E-02
DAV: 14 -0.903319970941E+02 -0.33321E-02 -0.15053E-03 623 0.203E-01 0.639E-02
DAV: 15 -0.903352542163E+02 -0.32571E-02 -0.10253E-03 661 0.181E-01 0.594E-02
DAV: 16 -0.903371237808E+02 -0.18696E-02 -0.39479E-04 712 0.163E-01 0.241E-02
DAV: 17 -0.903384877906E+02 -0.13640E-02 -0.27186E-04 644 0.777E-02 0.253E-02
DAV: 18 -0.903390009557E+02 -0.51317E-03 -0.53022E-05 712 0.512E-02 0.194E-02
DAV: 19 -0.903393327091E+02 -0.33175E-03 -0.10094E-04 672 0.621E-02 0.136E-02
DAV: 20 -0.903394108025E+02 -0.78093E-04 -0.23680E-05 576 0.374E-02 0.698E-03
DAV: 21 -0.903394723239E+02 -0.61521E-04 -0.20044E-05 484 0.234E-02 0.687E-03
DAV: 22 -0.903394991418E+02 -0.26818E-04 -0.47794E-06 472 0.144E-02 0.339E-03
DAV: 23 -0.903395135432E+02 -0.14401E-04 -0.53017E-06 434 0.152E-02 0.210E-03
DAV: 24 -0.903395176436E+02 -0.41005E-05 -0.21698E-06 480 0.853E-03
1 F= -.90339518E+02 E0= -.90347766E+02 d E =0.247438E-01