iterations/neb0_image04_iter148_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 0.364355457651E+03 0.36436E+03 -0.14353E+04 640 0.799E+02
DAV: 2 0.122009771672E+01 -0.36314E+03 -0.35025E+03 874 0.194E+02
DAV: 3 -0.957488330929E+02 -0.96969E+02 -0.96640E+02 661 0.115E+02
DAV: 4 -0.100114374872E+03 -0.43655E+01 -0.43544E+01 720 0.282E+01
DAV: 5 -0.100197892171E+03 -0.83517E-01 -0.83488E-01 736 0.355E+00 0.223E+01
DAV: 6 -0.915254235387E+02 0.86725E+01 -0.30756E+01 680 0.298E+01 0.116E+01
DAV: 7 -0.906728791684E+02 0.85254E+00 -0.18265E+00 712 0.632E+00 0.483E+00
DAV: 8 -0.902689607080E+02 0.40392E+00 -0.56211E-01 696 0.426E+00 0.165E+00
DAV: 9 -0.901724643870E+02 0.96496E-01 -0.12925E-01 720 0.180E+00 0.439E-01
DAV: 10 -0.901635544325E+02 0.89100E-02 -0.47578E-02 704 0.112E+00 0.348E-01
DAV: 11 -0.901695559927E+02 -0.60016E-02 -0.19218E-02 680 0.945E-01 0.225E-01
DAV: 12 -0.901695839189E+02 -0.27926E-04 -0.63602E-03 661 0.474E-01 0.151E-01
DAV: 13 -0.901734052083E+02 -0.38213E-02 -0.62173E-03 618 0.460E-01 0.103E-01
DAV: 14 -0.901766406413E+02 -0.32354E-02 -0.88598E-04 666 0.173E-01 0.634E-02
DAV: 15 -0.901794683219E+02 -0.28277E-02 -0.65942E-04 661 0.126E-01 0.260E-02
DAV: 16 -0.901817202844E+02 -0.22520E-02 -0.36482E-04 663 0.925E-02 0.233E-02
DAV: 17 -0.901824910340E+02 -0.77075E-03 -0.70662E-05 640 0.475E-02 0.162E-02
DAV: 18 -0.901829109507E+02 -0.41992E-03 -0.14551E-04 649 0.680E-02 0.123E-02
DAV: 19 -0.901829562407E+02 -0.45290E-04 -0.95510E-06 544 0.205E-02 0.937E-03
DAV: 20 -0.901830168789E+02 -0.60638E-04 -0.14197E-05 420 0.216E-02 0.319E-03
DAV: 21 -0.901830664544E+02 -0.49575E-04 -0.74848E-06 445 0.144E-02 0.288E-03
DAV: 22 -0.901830801969E+02 -0.13742E-04 -0.31184E-06 488 0.111E-02 0.295E-03
DAV: 23 -0.901830839854E+02 -0.37885E-05 -0.14278E-06 448 0.772E-03
1 F= -.90183084E+02 E0= -.90192246E+02 d E =0.274856E-01