iterations/neb0_image04_iter23_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 0.364971082226E+03 0.36497E+03 -0.14291E+04 632 0.799E+02
DAV: 2 0.502133815226E+01 -0.35995E+03 -0.34726E+03 850 0.194E+02
DAV: 3 -0.939934196689E+02 -0.99015E+02 -0.98611E+02 664 0.115E+02
DAV: 4 -0.987039564922E+02 -0.47105E+01 -0.46965E+01 720 0.290E+01
DAV: 5 -0.988030192849E+02 -0.99063E-01 -0.99014E-01 720 0.372E+00 0.217E+01
DAV: 6 -0.902950979628E+02 0.85079E+01 -0.30826E+01 680 0.300E+01 0.113E+01
DAV: 7 -0.895019111337E+02 0.79319E+00 -0.16667E+00 720 0.634E+00 0.476E+00
DAV: 8 -0.891149967221E+02 0.38691E+00 -0.58720E-01 712 0.436E+00 0.169E+00
DAV: 9 -0.890216156511E+02 0.93381E-01 -0.13627E-01 728 0.169E+00 0.443E-01
DAV: 10 -0.890121304313E+02 0.94852E-02 -0.35525E-02 728 0.916E-01 0.306E-01
DAV: 11 -0.890157239342E+02 -0.35935E-02 -0.10130E-02 605 0.541E-01 0.144E-01
DAV: 12 -0.890171015170E+02 -0.13776E-02 -0.18401E-03 688 0.270E-01 0.112E-01
DAV: 13 -0.890222164808E+02 -0.51150E-02 -0.42736E-03 804 0.439E-01 0.939E-02
DAV: 14 -0.890242693713E+02 -0.20529E-02 -0.88198E-04 765 0.196E-01 0.456E-02
DAV: 15 -0.890271169721E+02 -0.28476E-02 -0.13424E-03 623 0.202E-01 0.555E-02
DAV: 16 -0.890280101312E+02 -0.89316E-03 -0.16889E-04 848 0.998E-02 0.282E-02
DAV: 17 -0.890292965882E+02 -0.12865E-02 -0.40473E-04 797 0.114E-01 0.220E-02
DAV: 18 -0.890296807864E+02 -0.38420E-03 -0.42484E-05 685 0.336E-02 0.188E-02
DAV: 19 -0.890298344076E+02 -0.15362E-03 -0.48588E-05 669 0.397E-02 0.374E-03
DAV: 20 -0.890299139306E+02 -0.79523E-04 -0.96205E-06 439 0.173E-02 0.267E-03
DAV: 21 -0.890299517977E+02 -0.37867E-04 -0.55721E-06 485 0.102E-02 0.432E-03
DAV: 22 -0.890299636473E+02 -0.11850E-04 -0.15208E-06 434 0.739E-03 0.253E-03
DAV: 23 -0.890299671036E+02 -0.34563E-05 -0.34598E-06 504 0.113E-02
1 F= -.89029967E+02 E0= -.89038021E+02 d E =0.241628E-01