iterations/neb0_image02_iter239_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 0.365646117528E+03 0.36565E+03 -0.14292E+04 624 0.799E+02
DAV: 2 0.210754467306E+00 -0.36544E+03 -0.35487E+03 877 0.195E+02
DAV: 3 -0.955695267641E+02 -0.95780E+02 -0.95449E+02 621 0.115E+02
DAV: 4 -0.100196281997E+03 -0.46268E+01 -0.46164E+01 712 0.298E+01
DAV: 5 -0.100289335892E+03 -0.93054E-01 -0.93025E-01 744 0.378E+00 0.222E+01
DAV: 6 -0.916639817498E+02 0.86254E+01 -0.30934E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908489526228E+02 0.81503E+00 -0.18006E+00 712 0.636E+00 0.484E+00
DAV: 8 -0.904692622925E+02 0.37969E+00 -0.55864E-01 704 0.432E+00 0.169E+00
DAV: 9 -0.903848425651E+02 0.84420E-01 -0.13360E-01 720 0.165E+00 0.428E-01
DAV: 10 -0.903801933252E+02 0.46492E-02 -0.48183E-02 712 0.124E+00 0.328E-01
DAV: 11 -0.903838626497E+02 -0.36693E-02 -0.73938E-03 624 0.593E-01 0.119E-01
DAV: 12 -0.903868459000E+02 -0.29833E-02 -0.63521E-03 632 0.407E-01 0.131E-01
DAV: 13 -0.903895858519E+02 -0.27400E-02 -0.17639E-03 861 0.321E-01 0.813E-02
DAV: 14 -0.903926073680E+02 -0.30215E-02 -0.12259E-03 615 0.162E-01 0.664E-02
DAV: 15 -0.903945077224E+02 -0.19004E-02 -0.33807E-04 688 0.107E-01 0.476E-02
DAV: 16 -0.903959064617E+02 -0.13987E-02 -0.85451E-04 672 0.168E-01 0.376E-02
DAV: 17 -0.903964768609E+02 -0.57040E-03 -0.13146E-04 776 0.818E-02 0.223E-02
DAV: 18 -0.903967060475E+02 -0.22919E-03 -0.71122E-05 688 0.431E-02 0.682E-03
DAV: 19 -0.903969504195E+02 -0.24437E-03 -0.30614E-05 561 0.244E-02 0.435E-03
DAV: 20 -0.903969964265E+02 -0.46007E-04 -0.30034E-06 504 0.104E-02 0.385E-03
DAV: 21 -0.903970488430E+02 -0.52416E-04 -0.10173E-05 412 0.157E-02 0.329E-03
DAV: 22 -0.903970546781E+02 -0.58351E-05 -0.21931E-06 504 0.879E-03
1 F= -.90397055E+02 E0= -.90404129E+02 d E =0.212224E-01