iterations/neb0_image05_iter54_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 0.373196296165E+03 0.37320E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.415581964913E+01 -0.36904E+03 -0.35704E+03 874 0.195E+02
DAV: 3 -0.937261369295E+02 -0.97882E+02 -0.97535E+02 640 0.116E+02
DAV: 4 -0.984460437467E+02 -0.47199E+01 -0.47060E+01 728 0.299E+01
DAV: 5 -0.985471210068E+02 -0.10108E+00 -0.10104E+00 712 0.390E+00 0.219E+01
DAV: 6 -0.903043743567E+02 0.82427E+01 -0.28788E+01 704 0.290E+01 0.113E+01
DAV: 7 -0.894598021491E+02 0.84457E+00 -0.17499E+00 720 0.652E+00 0.466E+00
DAV: 8 -0.890816426195E+02 0.37816E+00 -0.60020E-01 696 0.430E+00 0.157E+00
DAV: 9 -0.889961549004E+02 0.85488E-01 -0.12710E-01 712 0.158E+00 0.434E-01
DAV: 10 -0.889854180476E+02 0.10737E-01 -0.38958E-02 733 0.106E+00 0.306E-01
DAV: 11 -0.889878665596E+02 -0.24485E-02 -0.85999E-03 624 0.528E-01 0.123E-01
DAV: 12 -0.889904495174E+02 -0.25830E-02 -0.26546E-03 674 0.265E-01 0.979E-02
DAV: 13 -0.889954401446E+02 -0.49906E-02 -0.12098E-03 642 0.224E-01 0.696E-02
DAV: 14 -0.889981915412E+02 -0.27514E-02 -0.89119E-04 674 0.143E-01 0.325E-02
DAV: 15 -0.890010708729E+02 -0.28793E-02 -0.48055E-04 709 0.123E-01 0.270E-02
DAV: 16 -0.890020344462E+02 -0.96357E-03 -0.75507E-05 704 0.531E-02 0.149E-02
DAV: 17 -0.890030192677E+02 -0.98482E-03 -0.19241E-04 676 0.717E-02 0.168E-02
DAV: 18 -0.890032666467E+02 -0.24738E-03 -0.64787E-05 757 0.612E-02 0.101E-02
DAV: 19 -0.890033173011E+02 -0.50654E-04 -0.17853E-05 480 0.275E-02 0.736E-03
DAV: 20 -0.890034184884E+02 -0.10119E-03 -0.24461E-05 488 0.281E-02 0.459E-03
DAV: 21 -0.890034565911E+02 -0.38103E-04 -0.56237E-06 469 0.152E-02 0.359E-03
DAV: 22 -0.890034684504E+02 -0.11859E-04 -0.41809E-06 496 0.115E-02 0.237E-03
DAV: 23 -0.890034716895E+02 -0.32391E-05 -0.11117E-06 464 0.729E-03
1 F= -.89003472E+02 E0= -.89007345E+02 d E =0.116185E-01