iterations/neb0_image08_iter238_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 0.374377555891E+03 0.37438E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.369221106990E+01 -0.37069E+03 -0.35822E+03 869 0.196E+02
DAV: 3 -0.967967887474E+02 -0.10049E+03 -0.10017E+03 672 0.117E+02
DAV: 4 -0.101295355350E+03 -0.44986E+01 -0.44860E+01 720 0.284E+01
DAV: 5 -0.101382251552E+03 -0.86896E-01 -0.86847E-01 736 0.359E+00 0.228E+01
DAV: 6 -0.926700103931E+02 0.87122E+01 -0.30979E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917934491121E+02 0.87656E+00 -0.17382E+00 712 0.614E+00 0.480E+00
DAV: 8 -0.914165455035E+02 0.37690E+00 -0.54616E-01 720 0.397E+00 0.161E+00
DAV: 9 -0.913371499741E+02 0.79396E-01 -0.13304E-01 728 0.156E+00 0.420E-01
DAV: 10 -0.913293926374E+02 0.77573E-02 -0.46513E-02 736 0.111E+00 0.308E-01
DAV: 11 -0.913343694592E+02 -0.49768E-02 -0.15560E-02 616 0.649E-01 0.159E-01
DAV: 12 -0.913371406407E+02 -0.27712E-02 -0.29377E-03 631 0.234E-01 0.115E-01
DAV: 13 -0.913408590819E+02 -0.37184E-02 -0.28770E-03 639 0.280E-01 0.582E-02
DAV: 14 -0.913440600041E+02 -0.32009E-02 -0.93679E-04 661 0.176E-01 0.273E-02
DAV: 15 -0.913453351769E+02 -0.12752E-02 -0.16471E-04 680 0.716E-02 0.180E-02
DAV: 16 -0.913464132699E+02 -0.10781E-02 -0.14246E-04 636 0.648E-02 0.102E-02
DAV: 17 -0.913468252909E+02 -0.41202E-03 -0.33704E-05 605 0.276E-02 0.100E-02
DAV: 18 -0.913470112995E+02 -0.18601E-03 -0.28029E-05 568 0.308E-02 0.420E-03
DAV: 19 -0.913470839521E+02 -0.72653E-04 -0.67953E-06 456 0.126E-02 0.297E-03
DAV: 20 -0.913471080568E+02 -0.24105E-04 -0.35550E-06 480 0.839E-03 0.147E-03
DAV: 21 -0.913471182210E+02 -0.10164E-04 -0.13962E-06 420 0.553E-03 0.111E-03
DAV: 22 -0.913471206373E+02 -0.24163E-05 -0.54945E-07 464 0.302E-03
1 F= -.91347121E+02 E0= -.91352128E+02 d E =0.150210E-01