./iterations/neb0_image04_iter238_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 0.367667170238E+03 0.36767E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.956731241440E+00 -0.36671E+03 -0.35548E+03 877 0.195E+02
DAV: 3 -0.960790630801E+02 -0.97036E+02 -0.96751E+02 664 0.116E+02
DAV: 4 -0.100306496978E+03 -0.42274E+01 -0.42181E+01 704 0.277E+01
DAV: 5 -0.100388917233E+03 -0.82420E-01 -0.82391E-01 736 0.346E+00 0.223E+01
DAV: 6 -0.916806333757E+02 0.87083E+01 -0.31285E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908232070833E+02 0.85743E+00 -0.17985E+00 712 0.654E+00 0.485E+00
DAV: 8 -0.904134589457E+02 0.40975E+00 -0.54789E-01 696 0.454E+00 0.179E+00
DAV: 9 -0.903234594890E+02 0.89999E-01 -0.14668E-01 728 0.221E+00 0.607E-01
DAV: 10 -0.903061857094E+02 0.17274E-01 -0.40568E-02 704 0.105E+00 0.362E-01
DAV: 11 -0.903080749119E+02 -0.18892E-02 -0.15753E-02 728 0.670E-01 0.286E-01
DAV: 12 -0.903102651700E+02 -0.21903E-02 -0.37790E-03 674 0.577E-01 0.153E-01
DAV: 13 -0.903135784416E+02 -0.33133E-02 -0.33001E-03 620 0.385E-01 0.108E-01
DAV: 14 -0.903173240251E+02 -0.37456E-02 -0.18399E-03 625 0.246E-01 0.512E-02
DAV: 15 -0.903199170347E+02 -0.25930E-02 -0.69479E-04 661 0.126E-01 0.531E-02
DAV: 16 -0.903222545799E+02 -0.23375E-02 -0.63351E-04 856 0.200E-01 0.430E-02
DAV: 17 -0.903233278379E+02 -0.10733E-02 -0.22930E-04 672 0.754E-02 0.368E-02
DAV: 18 -0.903238647898E+02 -0.53695E-03 -0.14374E-04 754 0.816E-02 0.188E-02
DAV: 19 -0.903241005240E+02 -0.23573E-03 -0.63004E-05 666 0.477E-02 0.111E-02
DAV: 20 -0.903242523177E+02 -0.15179E-03 -0.13293E-05 450 0.191E-02 0.911E-03
DAV: 21 -0.903243620923E+02 -0.10977E-03 -0.20426E-05 511 0.227E-02 0.501E-03
DAV: 22 -0.903243926874E+02 -0.30595E-04 -0.66414E-06 480 0.145E-02 0.280E-03
DAV: 23 -0.903243997876E+02 -0.71003E-05 -0.17104E-06 472 0.690E-03
1 F= -.90324400E+02 E0= -.90332500E+02 d E =0.242999E-01