./iterations/neb0_image09_iter151_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 0.374398775743E+03 0.37440E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.330111776190E+01 -0.37110E+03 -0.35824E+03 869 0.196E+02
DAV: 3 -0.968266967486E+02 -0.10013E+03 -0.99798E+02 669 0.117E+02
DAV: 4 -0.101280095657E+03 -0.44534E+01 -0.44431E+01 720 0.283E+01
DAV: 5 -0.101366311833E+03 -0.86216E-01 -0.86177E-01 728 0.359E+00 0.227E+01
DAV: 6 -0.926813954611E+02 0.86849E+01 -0.30984E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918065553098E+02 0.87484E+00 -0.17334E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.914288685572E+02 0.37769E+00 -0.54380E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913466971547E+02 0.82171E-01 -0.13275E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.913382640697E+02 0.84331E-02 -0.44860E-02 768 0.112E+00 0.301E-01
DAV: 11 -0.913425774465E+02 -0.43134E-02 -0.12259E-02 616 0.579E-01 0.136E-01
DAV: 12 -0.913456694301E+02 -0.30920E-02 -0.28920E-03 634 0.247E-01 0.113E-01
DAV: 13 -0.913492590232E+02 -0.35896E-02 -0.13453E-03 680 0.204E-01 0.434E-02
DAV: 14 -0.913524166399E+02 -0.31576E-02 -0.64818E-04 664 0.138E-01 0.363E-02
DAV: 15 -0.913540523539E+02 -0.16357E-02 -0.15058E-04 720 0.757E-02 0.344E-02
DAV: 16 -0.913554645161E+02 -0.14122E-02 -0.32219E-04 655 0.868E-02 0.163E-02
DAV: 17 -0.913559046138E+02 -0.44010E-03 -0.55804E-05 680 0.489E-02 0.121E-02
DAV: 18 -0.913561525564E+02 -0.24794E-03 -0.40822E-05 568 0.282E-02 0.981E-03
DAV: 19 -0.913561968713E+02 -0.44315E-04 -0.73604E-06 512 0.180E-02 0.432E-03
DAV: 20 -0.913562266548E+02 -0.29784E-04 -0.84381E-06 418 0.181E-02 0.240E-03
DAV: 21 -0.913562455138E+02 -0.18859E-04 -0.25840E-06 456 0.750E-03 0.252E-03
DAV: 22 -0.913562518065E+02 -0.62927E-05 -0.93030E-07 447 0.623E-03
1 F= -.91356252E+02 E0= -.91360957E+02 d E =0.141152E-01