iterations/neb0_image02_iter165_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 0.364135272250E+03 0.36414E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.189023086981E+01 -0.36225E+03 -0.35016E+03 853 0.195E+02
DAV: 3 -0.956395731180E+02 -0.97530E+02 -0.97192E+02 648 0.116E+02
DAV: 4 -0.100247148492E+03 -0.46076E+01 -0.45968E+01 728 0.291E+01
DAV: 5 -0.100337995911E+03 -0.90847E-01 -0.90818E-01 752 0.367E+00 0.222E+01
DAV: 6 -0.916781593563E+02 0.86598E+01 -0.30974E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908598702504E+02 0.81829E+00 -0.18557E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904785193598E+02 0.38135E+00 -0.55486E-01 696 0.431E+00 0.170E+00
DAV: 9 -0.903911771788E+02 0.87342E-01 -0.13800E-01 712 0.168E+00 0.431E-01
DAV: 10 -0.903855474274E+02 0.56298E-02 -0.49648E-02 704 0.129E+00 0.330E-01
DAV: 11 -0.903890837809E+02 -0.35364E-02 -0.76620E-03 616 0.563E-01 0.130E-01
DAV: 12 -0.903922728980E+02 -0.31891E-02 -0.74360E-03 648 0.449E-01 0.138E-01
DAV: 13 -0.903947737721E+02 -0.25009E-02 -0.20195E-03 880 0.358E-01 0.821E-02
DAV: 14 -0.903979797218E+02 -0.32059E-02 -0.14277E-03 642 0.176E-01 0.696E-02
DAV: 15 -0.903999100202E+02 -0.19303E-02 -0.34832E-04 680 0.108E-01 0.527E-02
DAV: 16 -0.904014245347E+02 -0.15145E-02 -0.10608E-03 672 0.190E-01 0.407E-02
DAV: 17 -0.904021642577E+02 -0.73972E-03 -0.17046E-04 800 0.902E-02 0.256E-02
DAV: 18 -0.904024709167E+02 -0.30666E-03 -0.75979E-05 672 0.401E-02 0.109E-02
DAV: 19 -0.904026311117E+02 -0.16020E-03 -0.48655E-05 661 0.374E-02 0.786E-03
DAV: 20 -0.904026533712E+02 -0.22259E-04 -0.46393E-06 520 0.148E-02 0.673E-03
DAV: 21 -0.904027042932E+02 -0.50922E-04 -0.10863E-05 414 0.183E-02 0.325E-03
DAV: 22 -0.904027127627E+02 -0.84694E-05 -0.44529E-06 480 0.123E-02
1 F= -.90402713E+02 E0= -.90409190E+02 d E =0.194307E-01