iterations/neb0_image02_iter282_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 0.365289287445E+03 0.36529E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.149623754242E+01 -0.36379E+03 -0.35216E+03 861 0.195E+02
DAV: 3 -0.955854606515E+02 -0.97082E+02 -0.96748E+02 640 0.116E+02
DAV: 4 -0.100225288796E+03 -0.46398E+01 -0.46289E+01 712 0.294E+01
DAV: 5 -0.100317446163E+03 -0.92157E-01 -0.92123E-01 720 0.372E+00 0.222E+01
DAV: 6 -0.916639235951E+02 0.86535E+01 -0.30875E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908460335451E+02 0.81789E+00 -0.18174E+00 712 0.635E+00 0.485E+00
DAV: 8 -0.904684590381E+02 0.37757E+00 -0.54672E-01 704 0.428E+00 0.170E+00
DAV: 9 -0.903848952107E+02 0.83564E-01 -0.12851E-01 720 0.184E+00 0.429E-01
DAV: 10 -0.903808599696E+02 0.40352E-02 -0.42294E-02 712 0.112E+00 0.326E-01
DAV: 11 -0.903850931284E+02 -0.42332E-02 -0.88960E-03 610 0.734E-01 0.125E-01
DAV: 12 -0.903871605415E+02 -0.20674E-02 -0.53626E-03 637 0.390E-01 0.117E-01
DAV: 13 -0.903904713298E+02 -0.33108E-02 -0.23474E-03 709 0.313E-01 0.838E-02
DAV: 14 -0.903936317501E+02 -0.31604E-02 -0.11433E-03 631 0.160E-01 0.643E-02
DAV: 15 -0.903951364315E+02 -0.15047E-02 -0.30827E-04 752 0.125E-01 0.278E-02
DAV: 16 -0.903968753263E+02 -0.17389E-02 -0.49535E-04 736 0.137E-01 0.358E-02
DAV: 17 -0.903973881655E+02 -0.51284E-03 -0.18096E-04 864 0.104E-01 0.211E-02
DAV: 18 -0.903974990378E+02 -0.11087E-03 -0.52229E-05 736 0.399E-02 0.147E-02
DAV: 19 -0.903977807306E+02 -0.28169E-03 -0.53401E-05 627 0.436E-02 0.628E-03
DAV: 20 -0.903978756881E+02 -0.94958E-04 -0.12432E-05 480 0.208E-02 0.536E-03
DAV: 21 -0.903979307994E+02 -0.55111E-04 -0.64007E-06 453 0.118E-02 0.249E-03
DAV: 22 -0.903979578724E+02 -0.27073E-04 -0.64811E-06 442 0.134E-02 0.225E-03
DAV: 23 -0.903979619761E+02 -0.41037E-05 -0.11877E-06 512 0.544E-03
1 F= -.90397962E+02 E0= -.90406296E+02 d E =0.250023E-01