iterations/neb0_image06_iter40_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 0.377077739636E+03 0.37708E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.470478527729E+01 -0.37237E+03 -0.35915E+03 858 0.196E+02
DAV: 3 -0.956315860402E+02 -0.10034E+03 -0.10000E+03 656 0.117E+02
DAV: 4 -0.100054348685E+03 -0.44228E+01 -0.44111E+01 728 0.290E+01
DAV: 5 -0.100139551216E+03 -0.85203E-01 -0.85176E-01 728 0.363E+00 0.229E+01
DAV: 6 -0.913585110398E+02 0.87810E+01 -0.30666E+01 671 0.306E+01 0.119E+01
DAV: 7 -0.904667226139E+02 0.89179E+00 -0.17379E+00 728 0.635E+00 0.482E+00
DAV: 8 -0.900782891005E+02 0.38843E+00 -0.54480E-01 696 0.412E+00 0.167E+00
DAV: 9 -0.899872927896E+02 0.90996E-01 -0.12818E-01 720 0.177E+00 0.458E-01
DAV: 10 -0.899775976387E+02 0.96952E-02 -0.32709E-02 776 0.899E-01 0.310E-01
DAV: 11 -0.899822161905E+02 -0.46186E-02 -0.21213E-02 666 0.109E+00 0.258E-01
DAV: 12 -0.899818671187E+02 0.34907E-03 -0.65282E-03 712 0.542E-01 0.158E-01
DAV: 13 -0.899857236521E+02 -0.38565E-02 -0.55510E-03 605 0.430E-01 0.137E-01
DAV: 14 -0.899889399223E+02 -0.32163E-02 -0.25345E-03 685 0.246E-01 0.999E-02
DAV: 15 -0.899915022368E+02 -0.25623E-02 -0.12106E-03 781 0.275E-01 0.332E-02
DAV: 16 -0.899936975299E+02 -0.21953E-02 -0.47503E-04 680 0.113E-01 0.340E-02
DAV: 17 -0.899947187847E+02 -0.10213E-02 -0.10332E-04 704 0.557E-02 0.203E-02
DAV: 18 -0.899954707925E+02 -0.75201E-03 -0.15591E-04 692 0.696E-02 0.137E-02
DAV: 19 -0.899956145761E+02 -0.14378E-03 -0.15264E-05 512 0.337E-02 0.857E-03
DAV: 20 -0.899957037282E+02 -0.89152E-04 -0.32739E-05 623 0.313E-02 0.543E-03
DAV: 21 -0.899957534314E+02 -0.49703E-04 -0.48140E-06 485 0.158E-02 0.263E-03
DAV: 22 -0.899957792031E+02 -0.25772E-04 -0.37802E-06 431 0.864E-03 0.966E-04
DAV: 23 -0.899957882586E+02 -0.90556E-05 -0.14152E-06 455 0.478E-03
1 F= -.89995788E+02 E0= -.90005952E+02 d E =0.304924E-01