./iterations/neb0_image06_iter24_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 0.366410222662E+03 0.36641E+03 -0.14265E+04 632 0.799E+02
DAV: 2 0.329071421087E+01 -0.36312E+03 -0.35036E+03 877 0.194E+02
DAV: 3 -0.944946046687E+02 -0.97785E+02 -0.97363E+02 664 0.115E+02
DAV: 4 -0.990064635266E+02 -0.45119E+01 -0.44987E+01 712 0.282E+01
DAV: 5 -0.990991798800E+02 -0.92716E-01 -0.92687E-01 728 0.360E+00 0.220E+01
DAV: 6 -0.903782663102E+02 0.87209E+01 -0.31337E+01 701 0.304E+01 0.114E+01
DAV: 7 -0.895393700201E+02 0.83890E+00 -0.16873E+00 720 0.680E+00 0.482E+00
DAV: 8 -0.891500659310E+02 0.38930E+00 -0.64943E-01 696 0.451E+00 0.168E+00
DAV: 9 -0.890639841955E+02 0.86082E-01 -0.13330E-01 720 0.173E+00 0.490E-01
DAV: 10 -0.890526964594E+02 0.11288E-01 -0.25100E-02 776 0.808E-01 0.275E-01
DAV: 11 -0.890548141533E+02 -0.21177E-02 -0.95683E-03 613 0.606E-01 0.145E-01
DAV: 12 -0.890574397449E+02 -0.26256E-02 -0.24213E-03 682 0.341E-01 0.966E-02
DAV: 13 -0.890613861320E+02 -0.39464E-02 -0.23555E-03 639 0.244E-01 0.949E-02
DAV: 14 -0.890641970168E+02 -0.28109E-02 -0.93745E-04 645 0.162E-01 0.373E-02
DAV: 15 -0.890672813259E+02 -0.30843E-02 -0.73434E-04 653 0.143E-01 0.418E-02
DAV: 16 -0.890687336302E+02 -0.14523E-02 -0.18854E-04 736 0.879E-02 0.190E-02
DAV: 17 -0.890696290674E+02 -0.89544E-03 -0.20203E-04 713 0.865E-02 0.200E-02
DAV: 18 -0.890699172296E+02 -0.28816E-03 -0.49585E-05 661 0.504E-02 0.144E-02
DAV: 19 -0.890700874275E+02 -0.17020E-03 -0.56512E-05 637 0.449E-02 0.813E-03
DAV: 20 -0.890701516120E+02 -0.64184E-04 -0.93256E-06 493 0.225E-02 0.364E-03
DAV: 21 -0.890702060019E+02 -0.54390E-04 -0.93567E-06 412 0.156E-02 0.224E-03
DAV: 22 -0.890702213961E+02 -0.15394E-04 -0.32710E-06 493 0.936E-03 0.215E-03
DAV: 23 -0.890702296083E+02 -0.82122E-05 -0.13111E-06 398 0.588E-03
1 F= -.89070230E+02 E0= -.89076675E+02 d E =0.193366E-01