iterations/neb0_image08_iter158_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 0.373968716440E+03 0.37397E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.371884422456E+01 -0.37025E+03 -0.35816E+03 863 0.196E+02
DAV: 3 -0.966523232975E+02 -0.10037E+03 -0.10006E+03 669 0.117E+02
DAV: 4 -0.101228315400E+03 -0.45760E+01 -0.45623E+01 720 0.285E+01
DAV: 5 -0.101318493598E+03 -0.90178E-01 -0.90122E-01 712 0.361E+00 0.227E+01
DAV: 6 -0.926363527433E+02 0.86821E+01 -0.31044E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.917772877216E+02 0.85907E+00 -0.17513E+00 712 0.615E+00 0.479E+00
DAV: 8 -0.914031773709E+02 0.37411E+00 -0.53723E-01 720 0.393E+00 0.163E+00
DAV: 9 -0.913218580366E+02 0.81319E-01 -0.13204E-01 720 0.156E+00 0.421E-01
DAV: 10 -0.913138012922E+02 0.80567E-02 -0.44006E-02 776 0.110E+00 0.297E-01
DAV: 11 -0.913183001810E+02 -0.44989E-02 -0.12153E-02 608 0.579E-01 0.134E-01
DAV: 12 -0.913213088633E+02 -0.30087E-02 -0.27378E-03 633 0.250E-01 0.104E-01
DAV: 13 -0.913246948142E+02 -0.33860E-02 -0.12449E-03 642 0.188E-01 0.450E-02
DAV: 14 -0.913279049935E+02 -0.32102E-02 -0.69552E-04 672 0.162E-01 0.339E-02
DAV: 15 -0.913293042701E+02 -0.13993E-02 -0.19250E-04 680 0.879E-02 0.371E-02
DAV: 16 -0.913306202895E+02 -0.13160E-02 -0.31982E-04 653 0.935E-02 0.154E-02
DAV: 17 -0.913310836654E+02 -0.46338E-03 -0.48267E-05 608 0.442E-02 0.146E-02
DAV: 18 -0.913313446990E+02 -0.26103E-03 -0.59584E-05 642 0.424E-02 0.124E-02
DAV: 19 -0.913314208582E+02 -0.76159E-04 -0.15239E-05 480 0.246E-02 0.499E-03
DAV: 20 -0.913314495511E+02 -0.28693E-04 -0.66049E-06 456 0.136E-02 0.204E-03
DAV: 21 -0.913314766259E+02 -0.27075E-04 -0.47445E-06 420 0.120E-02 0.193E-03
DAV: 22 -0.913314844021E+02 -0.77762E-05 -0.15086E-06 472 0.620E-03
1 F= -.91331484E+02 E0= -.91336627E+02 d E =0.154270E-01