./iterations/neb0_image09_iter128_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 0.374365160392E+03 0.37437E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.244924590270E+01 -0.37192E+03 -0.35961E+03 877 0.196E+02
DAV: 3 -0.966874456637E+02 -0.99137E+02 -0.98800E+02 656 0.117E+02
DAV: 4 -0.101224819619E+03 -0.45374E+01 -0.45278E+01 704 0.289E+01
DAV: 5 -0.101314409893E+03 -0.89590E-01 -0.89551E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926674456403E+02 0.86470E+01 -0.30875E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918043377718E+02 0.86311E+00 -0.17094E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914283927877E+02 0.37594E+00 -0.54308E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913462092652E+02 0.82184E-01 -0.13078E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913374500127E+02 0.87593E-02 -0.45497E-02 776 0.111E+00 0.303E-01
DAV: 11 -0.913418904108E+02 -0.44404E-02 -0.12980E-02 624 0.593E-01 0.143E-01
DAV: 12 -0.913448319034E+02 -0.29415E-02 -0.29352E-03 629 0.243E-01 0.110E-01
DAV: 13 -0.913486253278E+02 -0.37934E-02 -0.14592E-03 677 0.206E-01 0.441E-02
DAV: 14 -0.913520497808E+02 -0.34245E-02 -0.64839E-04 672 0.144E-01 0.339E-02
DAV: 15 -0.913533174324E+02 -0.12677E-02 -0.13063E-04 696 0.741E-02 0.333E-02
DAV: 16 -0.913547345300E+02 -0.14171E-02 -0.36009E-04 644 0.970E-02 0.197E-02
DAV: 17 -0.913550512482E+02 -0.31672E-03 -0.57581E-05 688 0.570E-02 0.118E-02
DAV: 18 -0.913552951528E+02 -0.24390E-03 -0.45931E-05 562 0.316E-02 0.111E-02
DAV: 19 -0.913553861852E+02 -0.91032E-04 -0.10495E-05 480 0.183E-02 0.554E-03
DAV: 20 -0.913554188716E+02 -0.32686E-04 -0.10635E-05 448 0.209E-02 0.219E-03
DAV: 21 -0.913554382835E+02 -0.19412E-04 -0.44984E-06 439 0.104E-02 0.310E-03
DAV: 22 -0.913554421017E+02 -0.38183E-05 -0.71650E-07 496 0.447E-03
1 F= -.91355442E+02 E0= -.91360205E+02 d E =0.142889E-01