iterations/neb0_image05_iter281_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 0.368115444269E+03 0.36812E+03 -0.14313E+04 624 0.799E+02
DAV: 2 0.420901082874E+01 -0.36391E+03 -0.35082E+03 845 0.196E+02
DAV: 3 -0.952641894051E+02 -0.99473E+02 -0.99124E+02 637 0.117E+02
DAV: 4 -0.100180144141E+03 -0.49160E+01 -0.49034E+01 704 0.303E+01
DAV: 5 -0.100279041924E+03 -0.98898E-01 -0.98853E-01 736 0.384E+00 0.223E+01
DAV: 6 -0.916066689068E+02 0.86724E+01 -0.31056E+01 680 0.301E+01 0.118E+01
DAV: 7 -0.907787699431E+02 0.82790E+00 -0.17645E+00 712 0.632E+00 0.484E+00
DAV: 8 -0.903971882930E+02 0.38158E+00 -0.54312E-01 720 0.433E+00 0.173E+00
DAV: 9 -0.903114552331E+02 0.85733E-01 -0.12454E-01 720 0.192E+00 0.497E-01
DAV: 10 -0.903019272306E+02 0.95280E-02 -0.25574E-02 720 0.878E-01 0.315E-01
DAV: 11 -0.903027455708E+02 -0.81834E-03 -0.10233E-02 656 0.527E-01 0.210E-01
DAV: 12 -0.903050229347E+02 -0.22774E-02 -0.22743E-03 752 0.411E-01 0.120E-01
DAV: 13 -0.903088923727E+02 -0.38694E-02 -0.29015E-03 629 0.330E-01 0.117E-01
DAV: 14 -0.903116091381E+02 -0.27168E-02 -0.14308E-03 877 0.246E-01 0.483E-02
DAV: 15 -0.903150212809E+02 -0.34121E-02 -0.74490E-04 646 0.121E-01 0.361E-02
DAV: 16 -0.903176482549E+02 -0.26270E-02 -0.30619E-04 677 0.874E-02 0.241E-02
DAV: 17 -0.903189366933E+02 -0.12884E-02 -0.19615E-04 674 0.654E-02 0.185E-02
DAV: 18 -0.903194799673E+02 -0.54327E-03 -0.95698E-05 712 0.595E-02 0.747E-03
DAV: 19 -0.903196382395E+02 -0.15827E-03 -0.36790E-05 642 0.288E-02 0.907E-03
DAV: 20 -0.903196835289E+02 -0.45289E-04 -0.76754E-06 474 0.219E-02 0.313E-03
DAV: 21 -0.903197110595E+02 -0.27531E-04 -0.11816E-05 439 0.185E-02 0.387E-03
DAV: 22 -0.903197166408E+02 -0.55813E-05 -0.18947E-06 458 0.101E-02
1 F= -.90319717E+02 E0= -.90327727E+02 d E =0.240306E-01