iterations/neb0_image09_iter61_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 0.374723092906E+03 0.37472E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.253802092191E+01 -0.37219E+03 -0.35981E+03 877 0.196E+02
DAV: 3 -0.966957379571E+02 -0.99234E+02 -0.98897E+02 656 0.117E+02
DAV: 4 -0.101232296977E+03 -0.45366E+01 -0.45273E+01 696 0.289E+01
DAV: 5 -0.101322224624E+03 -0.89928E-01 -0.89889E-01 736 0.369E+00 0.227E+01
DAV: 6 -0.926674953716E+02 0.86547E+01 -0.30854E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.918003923039E+02 0.86710E+00 -0.17208E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914229310028E+02 0.37746E+00 -0.54532E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913402555227E+02 0.82675E-01 -0.13094E-01 704 0.155E+00 0.424E-01
DAV: 10 -0.913312540235E+02 0.90015E-02 -0.46674E-02 760 0.113E+00 0.307E-01
DAV: 11 -0.913359011866E+02 -0.46472E-02 -0.14273E-02 613 0.619E-01 0.155E-01
DAV: 12 -0.913387530863E+02 -0.28519E-02 -0.30891E-03 631 0.243E-01 0.116E-01
DAV: 13 -0.913426459800E+02 -0.38929E-02 -0.19005E-03 712 0.238E-01 0.447E-02
DAV: 14 -0.913459837540E+02 -0.33378E-02 -0.53554E-04 661 0.126E-01 0.305E-02
DAV: 15 -0.913475652415E+02 -0.15815E-02 -0.14299E-04 680 0.645E-02 0.324E-02
DAV: 16 -0.913488099374E+02 -0.12447E-02 -0.32698E-04 658 0.910E-02 0.195E-02
DAV: 17 -0.913490543398E+02 -0.24440E-03 -0.37336E-05 656 0.431E-02 0.129E-02
DAV: 18 -0.913493093565E+02 -0.25502E-03 -0.60638E-05 620 0.395E-02 0.110E-02
DAV: 19 -0.913493782761E+02 -0.68920E-04 -0.84973E-06 480 0.235E-02 0.532E-03
DAV: 20 -0.913494113808E+02 -0.33105E-04 -0.16697E-05 448 0.236E-02 0.388E-03
DAV: 21 -0.913494321062E+02 -0.20725E-04 -0.31862E-06 450 0.987E-03 0.292E-03
DAV: 22 -0.913494378406E+02 -0.57344E-05 -0.22403E-06 434 0.984E-03
1 F= -.91349438E+02 E0= -.91354093E+02 d E =0.139649E-01