./iterations/neb0_image03_iter208_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 0.363486949860E+03 0.36349E+03 -0.14322E+04 632 0.799E+02
DAV: 2 -0.153384174555E+00 -0.36364E+03 -0.35380E+03 855 0.195E+02
DAV: 3 -0.959925347738E+02 -0.95839E+02 -0.95528E+02 661 0.115E+02
DAV: 4 -0.100253451040E+03 -0.42609E+01 -0.42493E+01 712 0.277E+01
DAV: 5 -0.100337846374E+03 -0.84395E-01 -0.84361E-01 736 0.350E+00 0.222E+01
DAV: 6 -0.917251941972E+02 0.86127E+01 -0.30973E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908852500056E+02 0.83994E+00 -0.18097E+00 704 0.636E+00 0.484E+00
DAV: 8 -0.904904309731E+02 0.39482E+00 -0.56640E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903955295709E+02 0.94901E-01 -0.13098E-01 712 0.172E+00 0.438E-01
DAV: 10 -0.903878278193E+02 0.77018E-02 -0.49920E-02 720 0.123E+00 0.343E-01
DAV: 11 -0.903921478237E+02 -0.43200E-02 -0.10100E-02 624 0.670E-01 0.124E-01
DAV: 12 -0.903948797436E+02 -0.27319E-02 -0.49693E-03 624 0.327E-01 0.122E-01
DAV: 13 -0.903989328040E+02 -0.40531E-02 -0.21683E-03 853 0.358E-01 0.838E-02
DAV: 14 -0.904021574835E+02 -0.32247E-02 -0.11811E-03 669 0.172E-01 0.617E-02
DAV: 15 -0.904041656525E+02 -0.20082E-02 -0.31766E-04 656 0.100E-01 0.267E-02
DAV: 16 -0.904060581210E+02 -0.18925E-02 -0.37537E-04 658 0.100E-01 0.264E-02
DAV: 17 -0.904066293617E+02 -0.57124E-03 -0.71613E-05 752 0.654E-02 0.129E-02
DAV: 18 -0.904071603953E+02 -0.53103E-03 -0.14702E-04 636 0.675E-02 0.169E-02
DAV: 19 -0.904072429211E+02 -0.82526E-04 -0.14719E-05 488 0.343E-02 0.871E-03
DAV: 20 -0.904073382031E+02 -0.95282E-04 -0.62496E-05 623 0.433E-02 0.100E-02
DAV: 21 -0.904073741863E+02 -0.35983E-04 -0.64809E-06 488 0.221E-02 0.490E-03
DAV: 22 -0.904073940371E+02 -0.19851E-04 -0.93121E-06 432 0.168E-02 0.970E-04
DAV: 23 -0.904073993701E+02 -0.53330E-05 -0.22903E-06 488 0.811E-03
1 F= -.90407399E+02 E0= -.90414051E+02 d E =0.199539E-01