iterations/neb0_image08_iter270_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 0.374157616471E+03 0.37416E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.325769133192E+01 -0.37090E+03 -0.35942E+03 877 0.196E+02
DAV: 3 -0.966488874020E+02 -0.99907E+02 -0.99595E+02 661 0.116E+02
DAV: 4 -0.101243279664E+03 -0.45944E+01 -0.45822E+01 712 0.287E+01
DAV: 5 -0.101333753475E+03 -0.90474E-01 -0.90427E-01 736 0.364E+00 0.227E+01
DAV: 6 -0.926558548964E+02 0.86779E+01 -0.30944E+01 711 0.300E+01 0.119E+01
DAV: 7 -0.917888088318E+02 0.86705E+00 -0.17031E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.914139492914E+02 0.37486E+00 -0.54279E-01 720 0.396E+00 0.161E+00
DAV: 9 -0.913343462673E+02 0.79603E-01 -0.13061E-01 728 0.154E+00 0.421E-01
DAV: 10 -0.913262176808E+02 0.81286E-02 -0.46296E-02 760 0.110E+00 0.306E-01
DAV: 11 -0.913312796493E+02 -0.50620E-02 -0.15425E-02 608 0.645E-01 0.161E-01
DAV: 12 -0.913340496199E+02 -0.27700E-02 -0.30787E-03 637 0.237E-01 0.112E-01
DAV: 13 -0.913378924396E+02 -0.38428E-02 -0.29638E-03 642 0.284E-01 0.621E-02
DAV: 14 -0.913410504631E+02 -0.31580E-02 -0.97555E-04 664 0.175E-01 0.274E-02
DAV: 15 -0.913424497720E+02 -0.13993E-02 -0.17385E-04 672 0.680E-02 0.163E-02
DAV: 16 -0.913434917079E+02 -0.10419E-02 -0.13738E-04 642 0.618E-02 0.105E-02
DAV: 17 -0.913438236237E+02 -0.33192E-03 -0.28357E-05 584 0.249E-02 0.859E-03
DAV: 18 -0.913439787133E+02 -0.15509E-03 -0.21486E-05 528 0.279E-02 0.404E-03
DAV: 19 -0.913440615938E+02 -0.82881E-04 -0.82266E-06 458 0.129E-02 0.326E-03
DAV: 20 -0.913440779152E+02 -0.16321E-04 -0.24876E-06 504 0.790E-03 0.147E-03
DAV: 21 -0.913440953407E+02 -0.17425E-04 -0.24849E-06 406 0.769E-03 0.121E-03
DAV: 22 -0.913440974750E+02 -0.21343E-05 -0.68077E-07 469 0.362E-03
1 F= -.91344097E+02 E0= -.91349095E+02 d E =0.149913E-01