iterations/neb0_image09_iter1_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 0.371281492910E+03 0.37128E+03 -0.14258E+04 624 0.799E+02
DAV: 2 0.302226149744E+01 -0.36826E+03 -0.35549E+03 880 0.195E+02
DAV: 3 -0.957225639786E+02 -0.98745E+02 -0.98383E+02 664 0.116E+02
DAV: 4 -0.100292481768E+03 -0.45699E+01 -0.45580E+01 712 0.286E+01
DAV: 5 -0.100384105119E+03 -0.91623E-01 -0.91585E-01 728 0.363E+00 0.226E+01
DAV: 6 -0.917426512446E+02 0.86415E+01 -0.31307E+01 685 0.303E+01 0.118E+01
DAV: 7 -0.908990397399E+02 0.84361E+00 -0.16004E+00 720 0.620E+00 0.484E+00
DAV: 8 -0.905215913909E+02 0.37745E+00 -0.57714E-01 712 0.409E+00 0.164E+00
DAV: 9 -0.904364204712E+02 0.85171E-01 -0.12873E-01 709 0.166E+00 0.448E-01
DAV: 10 -0.904268246897E+02 0.95958E-02 -0.24793E-02 760 0.759E-01 0.263E-01
DAV: 11 -0.904298515863E+02 -0.30269E-02 -0.91226E-03 602 0.572E-01 0.153E-01
DAV: 12 -0.904321115287E+02 -0.22599E-02 -0.33293E-03 632 0.375E-01 0.949E-02
DAV: 13 -0.904363343641E+02 -0.42228E-02 -0.24758E-03 617 0.252E-01 0.905E-02
DAV: 14 -0.904391853429E+02 -0.28510E-02 -0.87219E-04 677 0.160E-01 0.314E-02
DAV: 15 -0.904421299236E+02 -0.29446E-02 -0.46702E-04 661 0.103E-01 0.333E-02
DAV: 16 -0.904436714946E+02 -0.15416E-02 -0.22753E-04 744 0.989E-02 0.166E-02
DAV: 17 -0.904442697037E+02 -0.59821E-03 -0.87612E-05 664 0.488E-02 0.177E-02
DAV: 18 -0.904445087655E+02 -0.23906E-03 -0.48723E-05 592 0.447E-02 0.912E-03
DAV: 19 -0.904446466668E+02 -0.13790E-03 -0.26389E-05 573 0.307E-02 0.484E-03
DAV: 20 -0.904447160238E+02 -0.69357E-04 -0.71827E-06 448 0.153E-02 0.256E-03
DAV: 21 -0.904447450872E+02 -0.29063E-04 -0.53975E-06 439 0.109E-02 0.169E-03
DAV: 22 -0.904447518817E+02 -0.67945E-05 -0.11450E-06 480 0.536E-03
1 F= -.90444752E+02 E0= -.90448703E+02 d E =0.118542E-01