iterations/neb0_image09_iter70_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 0.374962691727E+03 0.37496E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.256653393352E+01 -0.37240E+03 -0.36002E+03 877 0.196E+02
DAV: 3 -0.967759976311E+02 -0.99343E+02 -0.99006E+02 664 0.117E+02
DAV: 4 -0.101255219763E+03 -0.44792E+01 -0.44700E+01 696 0.285E+01
DAV: 5 -0.101343957798E+03 -0.88738E-01 -0.88699E-01 736 0.362E+00 0.227E+01
DAV: 6 -0.926721061096E+02 0.86719E+01 -0.30872E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.918003396591E+02 0.87177E+00 -0.17269E+00 728 0.617E+00 0.480E+00
DAV: 8 -0.914222507095E+02 0.37809E+00 -0.54337E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913393692848E+02 0.82881E-01 -0.13207E-01 704 0.156E+00 0.424E-01
DAV: 10 -0.913304071512E+02 0.89621E-02 -0.46872E-02 768 0.114E+00 0.307E-01
DAV: 11 -0.913349519276E+02 -0.45448E-02 -0.14111E-02 616 0.619E-01 0.151E-01
DAV: 12 -0.913378189222E+02 -0.28670E-02 -0.30397E-03 620 0.244E-01 0.117E-01
DAV: 13 -0.913417211593E+02 -0.39022E-02 -0.18633E-03 704 0.235E-01 0.448E-02
DAV: 14 -0.913450604437E+02 -0.33393E-02 -0.55119E-04 669 0.130E-01 0.309E-02
DAV: 15 -0.913466485861E+02 -0.15881E-02 -0.14280E-04 696 0.656E-02 0.329E-02
DAV: 16 -0.913479323881E+02 -0.12838E-02 -0.34386E-04 655 0.946E-02 0.198E-02
DAV: 17 -0.913481940457E+02 -0.26166E-03 -0.39467E-05 656 0.445E-02 0.131E-02
DAV: 18 -0.913484318570E+02 -0.23781E-03 -0.51149E-05 620 0.358E-02 0.104E-02
DAV: 19 -0.913485153185E+02 -0.83461E-04 -0.83415E-06 480 0.209E-02 0.495E-03
DAV: 20 -0.913485486657E+02 -0.33347E-04 -0.13860E-05 448 0.214E-02 0.338E-03
DAV: 21 -0.913485707395E+02 -0.22074E-04 -0.31125E-06 436 0.105E-02 0.208E-03
DAV: 22 -0.913485753137E+02 -0.45742E-05 -0.17884E-06 472 0.760E-03
1 F= -.91348575E+02 E0= -.91353228E+02 d E =0.139580E-01