iterations/neb0_image06_iter104_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 0.375411963262E+03 0.37541E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.373451298281E+01 -0.37168E+03 -0.35970E+03 877 0.195E+02
DAV: 3 -0.954755869332E+02 -0.99210E+02 -0.98884E+02 640 0.117E+02
DAV: 4 -0.100231733130E+03 -0.47561E+01 -0.47447E+01 712 0.298E+01
DAV: 5 -0.100329151760E+03 -0.97419E-01 -0.97373E-01 736 0.381E+00 0.226E+01
DAV: 6 -0.917328211508E+02 0.85963E+01 -0.30763E+01 698 0.305E+01 0.118E+01
DAV: 7 -0.909045994720E+02 0.82822E+00 -0.17142E+00 720 0.627E+00 0.480E+00
DAV: 8 -0.905252654679E+02 0.37933E+00 -0.52721E-01 720 0.404E+00 0.165E+00
DAV: 9 -0.904353680611E+02 0.89897E-01 -0.13027E-01 720 0.165E+00 0.421E-01
DAV: 10 -0.904258015925E+02 0.95665E-02 -0.43378E-02 744 0.107E+00 0.304E-01
DAV: 11 -0.904304165958E+02 -0.46150E-02 -0.13497E-02 613 0.659E-01 0.171E-01
DAV: 12 -0.904319321364E+02 -0.15155E-02 -0.23063E-03 666 0.274E-01 0.116E-01
DAV: 13 -0.904366332678E+02 -0.47011E-02 -0.36999E-03 695 0.416E-01 0.731E-02
DAV: 14 -0.904382606074E+02 -0.16273E-02 -0.63033E-04 712 0.159E-01 0.545E-02
DAV: 15 -0.904408767311E+02 -0.26161E-02 -0.71222E-04 629 0.145E-01 0.348E-02
DAV: 16 -0.904426129119E+02 -0.17362E-02 -0.24465E-04 661 0.770E-02 0.298E-02
DAV: 17 -0.904433005104E+02 -0.68760E-03 -0.10941E-04 765 0.787E-02 0.132E-02
DAV: 18 -0.904439737136E+02 -0.67320E-03 -0.13527E-04 630 0.675E-02 0.128E-02
DAV: 19 -0.904441178127E+02 -0.14410E-03 -0.15302E-05 493 0.264E-02 0.112E-02
DAV: 20 -0.904441856790E+02 -0.67866E-04 -0.20551E-05 536 0.267E-02 0.780E-03
DAV: 21 -0.904442608049E+02 -0.75126E-04 -0.10733E-05 409 0.178E-02 0.486E-03
DAV: 22 -0.904442777733E+02 -0.16968E-04 -0.64602E-06 496 0.140E-02 0.478E-03
DAV: 23 -0.904442859909E+02 -0.82176E-05 -0.26165E-06 386 0.142E-02
1 F= -.90444286E+02 E0= -.90449809E+02 d E =0.165701E-01