iterations/neb0_image02_iter65_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 0.368061172263E+03 0.36806E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.464803926709E+01 -0.36341E+03 -0.34864E+03 834 0.195E+02
DAV: 3 -0.956869511359E+02 -0.10033E+03 -0.10000E+03 688 0.116E+02
DAV: 4 -0.100163204562E+03 -0.44763E+01 -0.44661E+01 704 0.279E+01
DAV: 5 -0.100249790363E+03 -0.86586E-01 -0.86545E-01 728 0.348E+00 0.222E+01
DAV: 6 -0.916499146482E+02 0.85999E+01 -0.30960E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908248734697E+02 0.82504E+00 -0.18186E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904371131982E+02 0.38776E+00 -0.56123E-01 704 0.428E+00 0.169E+00
DAV: 9 -0.903473150274E+02 0.89798E-01 -0.14031E-01 704 0.166E+00 0.435E-01
DAV: 10 -0.903408432797E+02 0.64717E-02 -0.45579E-02 736 0.126E+00 0.319E-01
DAV: 11 -0.903444597028E+02 -0.36164E-02 -0.70661E-03 608 0.472E-01 0.153E-01
DAV: 12 -0.903477751943E+02 -0.33155E-02 -0.67886E-03 632 0.468E-01 0.125E-01
DAV: 13 -0.903507432652E+02 -0.29681E-02 -0.11691E-03 824 0.303E-01 0.814E-02
DAV: 14 -0.903537774976E+02 -0.30342E-02 -0.16706E-03 637 0.193E-01 0.594E-02
DAV: 15 -0.903563425497E+02 -0.25651E-02 -0.57522E-04 733 0.161E-01 0.405E-02
DAV: 16 -0.903573701802E+02 -0.10276E-02 -0.43840E-04 672 0.110E-01 0.329E-02
DAV: 17 -0.903583204104E+02 -0.95023E-03 -0.16243E-04 724 0.786E-02 0.184E-02
DAV: 18 -0.903585535289E+02 -0.23312E-03 -0.59269E-05 680 0.395E-02 0.111E-02
DAV: 19 -0.903587638485E+02 -0.21032E-03 -0.22688E-05 492 0.231E-02 0.495E-03
DAV: 20 -0.903588426574E+02 -0.78809E-04 -0.11031E-05 453 0.156E-02 0.396E-03
DAV: 21 -0.903588766053E+02 -0.33948E-04 -0.49114E-06 461 0.119E-02 0.165E-03
DAV: 22 -0.903588886155E+02 -0.12010E-04 -0.27862E-06 456 0.779E-03 0.163E-03
DAV: 23 -0.903588904703E+02 -0.18549E-05 -0.64526E-07 480 0.509E-03
1 F= -.90358890E+02 E0= -.90364845E+02 d E =0.178632E-01