./iterations/neb0_image04_iter163_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 0.364061394079E+03 0.36406E+03 -0.14357E+04 640 0.799E+02
DAV: 2 0.827957368823E+00 -0.36323E+03 -0.35041E+03 874 0.194E+02
DAV: 3 -0.959798930618E+02 -0.96808E+02 -0.96498E+02 666 0.115E+02
DAV: 4 -0.100209505095E+03 -0.42296E+01 -0.42199E+01 720 0.277E+01
DAV: 5 -0.100288406073E+03 -0.78901E-01 -0.78872E-01 728 0.345E+00 0.223E+01
DAV: 6 -0.915923466927E+02 0.86961E+01 -0.30936E+01 685 0.297E+01 0.117E+01
DAV: 7 -0.907326087257E+02 0.85974E+00 -0.17948E+00 704 0.630E+00 0.483E+00
DAV: 8 -0.903255880333E+02 0.40702E+00 -0.56223E-01 704 0.425E+00 0.163E+00
DAV: 9 -0.902304500501E+02 0.95138E-01 -0.13408E-01 704 0.165E+00 0.437E-01
DAV: 10 -0.902214883536E+02 0.89617E-02 -0.49186E-02 709 0.117E+00 0.343E-01
DAV: 11 -0.902259947356E+02 -0.45064E-02 -0.86511E-03 624 0.643E-01 0.125E-01
DAV: 12 -0.902287943646E+02 -0.27996E-02 -0.50696E-03 628 0.341E-01 0.142E-01
DAV: 13 -0.902313125612E+02 -0.25182E-02 -0.18810E-03 728 0.298E-01 0.726E-02
DAV: 14 -0.902359210021E+02 -0.46084E-02 -0.14433E-03 625 0.175E-01 0.615E-02
DAV: 15 -0.902382986361E+02 -0.23776E-02 -0.31801E-04 768 0.120E-01 0.345E-02
DAV: 16 -0.902397790383E+02 -0.14804E-02 -0.45240E-04 661 0.114E-01 0.309E-02
DAV: 17 -0.902405466046E+02 -0.76757E-03 -0.14712E-04 909 0.881E-02 0.168E-02
DAV: 18 -0.902409673240E+02 -0.42072E-03 -0.49844E-05 653 0.349E-02 0.113E-02
DAV: 19 -0.902412243027E+02 -0.25698E-03 -0.36928E-05 593 0.266E-02 0.398E-03
DAV: 20 -0.902413119415E+02 -0.87639E-04 -0.67272E-06 464 0.160E-02 0.229E-03
DAV: 21 -0.902413760276E+02 -0.64086E-04 -0.11291E-05 449 0.121E-02 0.289E-03
DAV: 22 -0.902413801551E+02 -0.41275E-05 -0.97882E-07 544 0.633E-03
1 F= -.90241380E+02 E0= -.90250223E+02 d E =0.265291E-01