./iterations/neb0_image01_iter242_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 0.365297889896E+03 0.36530E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.323136881510E+01 -0.36207E+03 -0.34893E+03 839 0.196E+02
DAV: 3 -0.954644329463E+02 -0.98696E+02 -0.98351E+02 645 0.116E+02
DAV: 4 -0.100213450344E+03 -0.47490E+01 -0.47367E+01 704 0.297E+01
DAV: 5 -0.100307163221E+03 -0.93713E-01 -0.93668E-01 736 0.376E+00 0.222E+01
DAV: 6 -0.916910824748E+02 0.86161E+01 -0.31031E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908912645433E+02 0.79982E+00 -0.18279E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905150156893E+02 0.37625E+00 -0.55162E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.904314264950E+02 0.83589E-01 -0.13407E-01 720 0.165E+00 0.423E-01
DAV: 10 -0.904267343223E+02 0.46922E-02 -0.46748E-02 728 0.124E+00 0.319E-01
DAV: 11 -0.904306537797E+02 -0.39195E-02 -0.70563E-03 608 0.526E-01 0.129E-01
DAV: 12 -0.904342311705E+02 -0.35774E-02 -0.70897E-03 637 0.484E-01 0.135E-01
DAV: 13 -0.904366243962E+02 -0.23932E-02 -0.17366E-03 869 0.318E-01 0.745E-02
DAV: 14 -0.904397136819E+02 -0.30893E-02 -0.13824E-03 642 0.182E-01 0.641E-02
DAV: 15 -0.904415114193E+02 -0.17977E-02 -0.34371E-04 680 0.111E-01 0.526E-02
DAV: 16 -0.904429265845E+02 -0.14152E-02 -0.96877E-04 666 0.190E-01 0.356E-02
DAV: 17 -0.904436985713E+02 -0.77199E-03 -0.13037E-04 672 0.752E-02 0.320E-02
DAV: 18 -0.904439980213E+02 -0.29945E-03 -0.10172E-04 672 0.535E-02 0.134E-02
DAV: 19 -0.904441598303E+02 -0.16181E-03 -0.55202E-05 653 0.386E-02 0.829E-03
DAV: 20 -0.904441926481E+02 -0.32818E-04 -0.41689E-06 512 0.160E-02 0.923E-03
DAV: 21 -0.904442302985E+02 -0.37650E-04 -0.74765E-06 409 0.175E-02 0.563E-03
DAV: 22 -0.904442380403E+02 -0.77418E-05 -0.68134E-06 496 0.153E-02
1 F= -.90444238E+02 E0= -.90449552E+02 d E =0.159407E-01