iterations/neb0_image04_iter35_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 0.372623277044E+03 0.37262E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.480361228377E+01 -0.36782E+03 -0.35594E+03 869 0.195E+02
DAV: 3 -0.949787781561E+02 -0.99782E+02 -0.99433E+02 661 0.116E+02
DAV: 4 -0.994973943837E+02 -0.45186E+01 -0.45053E+01 720 0.290E+01
DAV: 5 -0.995821441588E+02 -0.84750E-01 -0.84717E-01 728 0.362E+00 0.224E+01
DAV: 6 -0.909270878021E+02 0.86551E+01 -0.30253E+01 690 0.297E+01 0.117E+01
DAV: 7 -0.900601094022E+02 0.86698E+00 -0.18009E+00 720 0.629E+00 0.480E+00
DAV: 8 -0.896605307184E+02 0.39958E+00 -0.56143E-01 696 0.430E+00 0.170E+00
DAV: 9 -0.895647939373E+02 0.95737E-01 -0.14650E-01 720 0.175E+00 0.439E-01
DAV: 10 -0.895555795257E+02 0.92144E-02 -0.41402E-02 744 0.109E+00 0.319E-01
DAV: 11 -0.895597297282E+02 -0.41502E-02 -0.11298E-02 621 0.597E-01 0.140E-01
DAV: 12 -0.895614448720E+02 -0.17151E-02 -0.23628E-03 672 0.257E-01 0.111E-01
DAV: 13 -0.895669667269E+02 -0.55219E-02 -0.42222E-03 724 0.447E-01 0.924E-02
DAV: 14 -0.895685851294E+02 -0.16184E-02 -0.84260E-04 744 0.190E-01 0.594E-02
DAV: 15 -0.895706741733E+02 -0.20890E-02 -0.87932E-04 655 0.171E-01 0.272E-02
DAV: 16 -0.895723568783E+02 -0.16827E-02 -0.18000E-04 682 0.689E-02 0.334E-02
DAV: 17 -0.895734599542E+02 -0.11031E-02 -0.14106E-04 669 0.775E-02 0.201E-02
DAV: 18 -0.895737941214E+02 -0.33417E-03 -0.15305E-04 677 0.719E-02 0.139E-02
DAV: 19 -0.895739041232E+02 -0.11000E-03 -0.12868E-05 488 0.264E-02 0.828E-03
DAV: 20 -0.895740115717E+02 -0.10745E-03 -0.28188E-05 497 0.294E-02 0.817E-03
DAV: 21 -0.895740392705E+02 -0.27699E-04 -0.16435E-05 501 0.376E-02 0.505E-03
DAV: 22 -0.895740472650E+02 -0.79945E-05 -0.15072E-05 477 0.256E-02
1 F= -.89574047E+02 E0= -.89580606E+02 d E =0.196749E-01