iterations/neb0_image03_iter154_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 0.364703700248E+03 0.36470E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.475660378928E+00 -0.36423E+03 -0.35383E+03 869 0.195E+02
DAV: 3 -0.960515247713E+02 -0.96527E+02 -0.96224E+02 680 0.115E+02
DAV: 4 -0.100169837683E+03 -0.41183E+01 -0.41087E+01 712 0.271E+01
DAV: 5 -0.100250280091E+03 -0.80442E-01 -0.80409E-01 736 0.340E+00 0.222E+01
DAV: 6 -0.916777778055E+02 0.85725E+01 -0.30691E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908381830120E+02 0.83959E+00 -0.17996E+00 696 0.634E+00 0.482E+00
DAV: 8 -0.904402449940E+02 0.39794E+00 -0.55233E-01 704 0.425E+00 0.166E+00
DAV: 9 -0.903450929458E+02 0.95152E-01 -0.13184E-01 704 0.177E+00 0.431E-01
DAV: 10 -0.903373000909E+02 0.77929E-02 -0.47046E-02 704 0.112E+00 0.339E-01
DAV: 11 -0.903433482707E+02 -0.60482E-02 -0.17578E-02 677 0.865E-01 0.213E-01
DAV: 12 -0.903434287523E+02 -0.80482E-04 -0.46655E-03 664 0.421E-01 0.138E-01
DAV: 13 -0.903474599559E+02 -0.40312E-02 -0.49095E-03 618 0.403E-01 0.963E-02
DAV: 14 -0.903507580919E+02 -0.32981E-02 -0.81941E-04 677 0.163E-01 0.594E-02
DAV: 15 -0.903535379705E+02 -0.27799E-02 -0.77019E-04 658 0.156E-01 0.266E-02
DAV: 16 -0.903551570517E+02 -0.16191E-02 -0.23512E-04 680 0.810E-02 0.251E-02
DAV: 17 -0.903562131696E+02 -0.10561E-02 -0.16268E-04 697 0.762E-02 0.136E-02
DAV: 18 -0.903565482222E+02 -0.33505E-03 -0.57103E-05 704 0.390E-02 0.112E-02
DAV: 19 -0.903566997266E+02 -0.15150E-03 -0.26865E-05 517 0.309E-02 0.580E-03
DAV: 20 -0.903567947601E+02 -0.95033E-04 -0.95964E-06 474 0.174E-02 0.396E-03
DAV: 21 -0.903568432678E+02 -0.48508E-04 -0.10674E-05 440 0.157E-02 0.267E-03
DAV: 22 -0.903568489004E+02 -0.56326E-05 -0.16191E-06 536 0.688E-03
1 F= -.90356849E+02 E0= -.90365516E+02 d E =0.260026E-01