./iterations/neb0_image05_iter162_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 0.367634697764E+03 0.36763E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.178498294587E+01 -0.36585E+03 -0.35264E+03 869 0.194E+02
DAV: 3 -0.952343475010E+02 -0.97019E+02 -0.96683E+02 640 0.115E+02
DAV: 4 -0.998892170568E+02 -0.46549E+01 -0.46446E+01 720 0.295E+01
DAV: 5 -0.999831180475E+02 -0.93901E-01 -0.93860E-01 736 0.374E+00 0.221E+01
DAV: 6 -0.915092553066E+02 0.84739E+01 -0.30185E+01 672 0.296E+01 0.117E+01
DAV: 7 -0.907036448037E+02 0.80561E+00 -0.18248E+00 728 0.636E+00 0.480E+00
DAV: 8 -0.903249918385E+02 0.37865E+00 -0.53975E-01 720 0.427E+00 0.169E+00
DAV: 9 -0.902356091786E+02 0.89383E-01 -0.13815E-01 712 0.167E+00 0.443E-01
DAV: 10 -0.902276449343E+02 0.79642E-02 -0.45416E-02 768 0.132E+00 0.327E-01
DAV: 11 -0.902300040242E+02 -0.23591E-02 -0.59037E-03 640 0.498E-01 0.171E-01
DAV: 12 -0.902328210223E+02 -0.28170E-02 -0.86209E-03 616 0.511E-01 0.135E-01
DAV: 13 -0.902356437615E+02 -0.28227E-02 -0.14526E-03 818 0.318E-01 0.748E-02
DAV: 14 -0.902389749117E+02 -0.33312E-02 -0.15176E-03 636 0.173E-01 0.527E-02
DAV: 15 -0.902420897820E+02 -0.31149E-02 -0.38890E-04 677 0.907E-02 0.418E-02
DAV: 16 -0.902436770970E+02 -0.15873E-02 -0.46717E-04 696 0.123E-01 0.237E-02
DAV: 17 -0.902444912004E+02 -0.81410E-03 -0.92382E-05 677 0.574E-02 0.193E-02
DAV: 18 -0.902448782816E+02 -0.38708E-03 -0.76070E-05 664 0.400E-02 0.104E-02
DAV: 19 -0.902449625828E+02 -0.84301E-04 -0.11239E-05 488 0.201E-02 0.361E-03
DAV: 20 -0.902450393542E+02 -0.76771E-04 -0.10696E-05 426 0.149E-02 0.286E-03
DAV: 21 -0.902450628917E+02 -0.23538E-04 -0.26234E-06 496 0.748E-03 0.234E-03
DAV: 22 -0.902450724251E+02 -0.95333E-05 -0.23212E-06 404 0.849E-03
1 F= -.90245072E+02 E0= -.90253101E+02 d E =0.240856E-01