iterations/neb0_image02_iter245_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 0.365883527033E+03 0.36588E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.267155862367E+00 -0.36562E+03 -0.35504E+03 877 0.195E+02
DAV: 3 -0.956808427520E+02 -0.95948E+02 -0.95620E+02 629 0.115E+02
DAV: 4 -0.100224346171E+03 -0.45435E+01 -0.45330E+01 712 0.294E+01
DAV: 5 -0.100314699841E+03 -0.90354E-01 -0.90325E-01 744 0.372E+00 0.222E+01
DAV: 6 -0.916649574686E+02 0.86497E+01 -0.31060E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908531252459E+02 0.81183E+00 -0.18113E+00 712 0.636E+00 0.484E+00
DAV: 8 -0.904732275081E+02 0.37990E+00 -0.55375E-01 696 0.431E+00 0.170E+00
DAV: 9 -0.903879221188E+02 0.85305E-01 -0.13539E-01 720 0.166E+00 0.428E-01
DAV: 10 -0.903832809934E+02 0.46411E-02 -0.48854E-02 704 0.125E+00 0.329E-01
DAV: 11 -0.903869829892E+02 -0.37020E-02 -0.76417E-03 632 0.594E-01 0.119E-01
DAV: 12 -0.903900636177E+02 -0.30806E-02 -0.66435E-03 632 0.416E-01 0.135E-01
DAV: 13 -0.903926851909E+02 -0.26216E-02 -0.18918E-03 861 0.334E-01 0.816E-02
DAV: 14 -0.903957655585E+02 -0.30804E-02 -0.13259E-03 623 0.171E-01 0.701E-02
DAV: 15 -0.903975662941E+02 -0.18007E-02 -0.31589E-04 672 0.103E-01 0.530E-02
DAV: 16 -0.903989881300E+02 -0.14218E-02 -0.10304E-03 677 0.188E-01 0.396E-02
DAV: 17 -0.903995856613E+02 -0.59753E-03 -0.12918E-04 688 0.805E-02 0.277E-02
DAV: 18 -0.903999021715E+02 -0.31651E-03 -0.10858E-04 672 0.525E-02 0.774E-03
DAV: 19 -0.904000901688E+02 -0.18800E-03 -0.31892E-05 575 0.276E-02 0.680E-03
DAV: 20 -0.904001260078E+02 -0.35839E-04 -0.31691E-06 504 0.118E-02 0.587E-03
DAV: 21 -0.904001806947E+02 -0.54687E-04 -0.14272E-05 428 0.208E-02 0.365E-03
DAV: 22 -0.904001847659E+02 -0.40711E-05 -0.37420E-06 504 0.115E-02
1 F= -.90400185E+02 E0= -.90407078E+02 d E =0.206792E-01