iterations/neb0_image09_iter33_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 0.374879453054E+03 0.37488E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.262226636255E+01 -0.37226E+03 -0.35978E+03 877 0.196E+02
DAV: 3 -0.966545393728E+02 -0.99277E+02 -0.98947E+02 656 0.117E+02
DAV: 4 -0.101203238229E+03 -0.45487E+01 -0.45394E+01 688 0.289E+01
DAV: 5 -0.101293285434E+03 -0.90047E-01 -0.90006E-01 736 0.369E+00 0.227E+01
DAV: 6 -0.926392785481E+02 0.86540E+01 -0.30844E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.917734219418E+02 0.86586E+00 -0.17041E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.913994938940E+02 0.37393E+00 -0.54187E-01 712 0.395E+00 0.164E+00
DAV: 9 -0.913160707187E+02 0.83423E-01 -0.13080E-01 704 0.154E+00 0.423E-01
DAV: 10 -0.913071271688E+02 0.89435E-02 -0.42528E-02 768 0.107E+00 0.295E-01
DAV: 11 -0.913117618843E+02 -0.46347E-02 -0.12337E-02 608 0.576E-01 0.148E-01
DAV: 12 -0.913146346927E+02 -0.28728E-02 -0.25650E-03 631 0.245E-01 0.100E-01
DAV: 13 -0.913183933064E+02 -0.37586E-02 -0.14179E-03 661 0.191E-01 0.479E-02
DAV: 14 -0.913220347653E+02 -0.36415E-02 -0.83158E-04 661 0.196E-01 0.357E-02
DAV: 15 -0.913231418924E+02 -0.11071E-02 -0.18230E-04 688 0.884E-02 0.328E-02
DAV: 16 -0.913241796140E+02 -0.10377E-02 -0.24676E-04 671 0.953E-02 0.188E-02
DAV: 17 -0.913249182041E+02 -0.73859E-03 -0.93208E-05 666 0.554E-02 0.132E-02
DAV: 18 -0.913252007995E+02 -0.28260E-03 -0.43319E-05 592 0.339E-02 0.996E-03
DAV: 19 -0.913253253573E+02 -0.12456E-03 -0.16834E-05 461 0.208E-02 0.419E-03
DAV: 20 -0.913253596506E+02 -0.34293E-04 -0.61059E-06 472 0.124E-02 0.245E-03
DAV: 21 -0.913253841315E+02 -0.24481E-04 -0.56495E-06 403 0.137E-02 0.231E-03
DAV: 22 -0.913253869242E+02 -0.27927E-05 -0.11648E-06 504 0.567E-03
1 F= -.91325387E+02 E0= -.91330383E+02 d E =0.149897E-01