./iterations/neb0_image07_iter161_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 0.370548205216E+03 0.37055E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.320737102632E+01 -0.36734E+03 -0.35472E+03 869 0.194E+02
DAV: 3 -0.962937329171E+02 -0.99501E+02 -0.99179E+02 680 0.116E+02
DAV: 4 -0.100959816828E+03 -0.46661E+01 -0.46548E+01 688 0.287E+01
DAV: 5 -0.101057574273E+03 -0.97757E-01 -0.97684E-01 736 0.368E+00 0.225E+01
DAV: 6 -0.925184166130E+02 0.85392E+01 -0.30476E+01 733 0.299E+01 0.118E+01
DAV: 7 -0.916835090916E+02 0.83491E+00 -0.17203E+00 712 0.617E+00 0.477E+00
DAV: 8 -0.913154464748E+02 0.36806E+00 -0.52443E-01 728 0.394E+00 0.164E+00
DAV: 9 -0.912337182230E+02 0.81728E-01 -0.13041E-01 728 0.158E+00 0.421E-01
DAV: 10 -0.912252771862E+02 0.84410E-02 -0.40138E-02 776 0.106E+00 0.289E-01
DAV: 11 -0.912294855188E+02 -0.42083E-02 -0.10983E-02 608 0.556E-01 0.137E-01
DAV: 12 -0.912321198734E+02 -0.26344E-02 -0.24291E-03 653 0.265E-01 0.878E-02
DAV: 13 -0.912360263626E+02 -0.39065E-02 -0.13832E-03 639 0.186E-01 0.545E-02
DAV: 14 -0.912385813599E+02 -0.25550E-02 -0.46276E-04 848 0.165E-01 0.321E-02
DAV: 15 -0.912405623598E+02 -0.19810E-02 -0.30308E-04 655 0.927E-02 0.307E-02
DAV: 16 -0.912417855488E+02 -0.12232E-02 -0.12812E-04 685 0.558E-02 0.154E-02
DAV: 17 -0.912425467491E+02 -0.76120E-03 -0.10597E-04 677 0.485E-02 0.119E-02
DAV: 18 -0.912428334614E+02 -0.28671E-03 -0.34370E-05 597 0.301E-02 0.437E-03
DAV: 19 -0.912429127785E+02 -0.79317E-04 -0.95278E-06 448 0.152E-02 0.348E-03
DAV: 20 -0.912429335483E+02 -0.20770E-04 -0.25530E-06 493 0.112E-02 0.174E-03
DAV: 21 -0.912429477722E+02 -0.14224E-04 -0.34069E-06 398 0.105E-02 0.227E-03
DAV: 22 -0.912429514182E+02 -0.36460E-05 -0.77923E-07 480 0.615E-03
1 F= -.91242951E+02 E0= -.91248588E+02 d E =0.169086E-01