./iterations/neb0_image09_iter289_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 0.374288801835E+03 0.37429E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.333387530932E+01 -0.37095E+03 -0.35828E+03 866 0.196E+02
DAV: 3 -0.966692157199E+02 -0.10000E+03 -0.99678E+02 656 0.117E+02
DAV: 4 -0.101279693780E+03 -0.46105E+01 -0.45996E+01 712 0.291E+01
DAV: 5 -0.101371182312E+03 -0.91489E-01 -0.91448E-01 728 0.371E+00 0.227E+01
DAV: 6 -0.926787532093E+02 0.86924E+01 -0.30980E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.918099947011E+02 0.86876E+00 -0.17258E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914350060255E+02 0.37499E+00 -0.54271E-01 704 0.396E+00 0.163E+00
DAV: 9 -0.913536768680E+02 0.81329E-01 -0.13166E-01 720 0.154E+00 0.420E-01
DAV: 10 -0.913454639068E+02 0.82130E-02 -0.44691E-02 768 0.107E+00 0.303E-01
DAV: 11 -0.913501790412E+02 -0.47151E-02 -0.13313E-02 608 0.598E-01 0.145E-01
DAV: 12 -0.913531257602E+02 -0.29467E-02 -0.27997E-03 629 0.224E-01 0.113E-01
DAV: 13 -0.913569641493E+02 -0.38384E-02 -0.23826E-03 685 0.257E-01 0.504E-02
DAV: 14 -0.913602369783E+02 -0.32728E-02 -0.58162E-04 664 0.128E-01 0.245E-02
DAV: 15 -0.913616911650E+02 -0.14542E-02 -0.11559E-04 696 0.545E-02 0.197E-02
DAV: 16 -0.913628688957E+02 -0.11777E-02 -0.19498E-04 645 0.653E-02 0.150E-02
DAV: 17 -0.913630697823E+02 -0.20089E-03 -0.15166E-05 496 0.296E-02 0.110E-02
DAV: 18 -0.913633200442E+02 -0.25026E-03 -0.74229E-05 612 0.441E-02 0.102E-02
DAV: 19 -0.913633413203E+02 -0.21276E-04 -0.77693E-06 520 0.257E-02 0.467E-03
DAV: 20 -0.913633697724E+02 -0.28452E-04 -0.12137E-05 415 0.193E-02 0.259E-03
DAV: 21 -0.913633904507E+02 -0.20678E-04 -0.44285E-06 440 0.100E-02 0.374E-03
DAV: 22 -0.913633935188E+02 -0.30681E-05 -0.73777E-07 504 0.738E-03
1 F= -.91363394E+02 E0= -.91368055E+02 d E =0.139851E-01