iterations/neb0_image04_iter227_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 0.368670480663E+03 0.36867E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.170149424045E+01 -0.36697E+03 -0.35537E+03 869 0.195E+02
DAV: 3 -0.960455506550E+02 -0.97747E+02 -0.97456E+02 661 0.116E+02
DAV: 4 -0.100319954265E+03 -0.42744E+01 -0.42655E+01 704 0.279E+01
DAV: 5 -0.100403169898E+03 -0.83216E-01 -0.83181E-01 736 0.349E+00 0.224E+01
DAV: 6 -0.916815610222E+02 0.87216E+01 -0.31169E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908135462750E+02 0.86801E+00 -0.17818E+00 712 0.647E+00 0.484E+00
DAV: 8 -0.904005383239E+02 0.41301E+00 -0.55003E-01 696 0.449E+00 0.175E+00
DAV: 9 -0.903091741094E+02 0.91364E-01 -0.15101E-01 728 0.204E+00 0.550E-01
DAV: 10 -0.902958430448E+02 0.13331E-01 -0.35588E-02 696 0.991E-01 0.345E-01
DAV: 11 -0.902975341120E+02 -0.16911E-02 -0.11450E-02 717 0.544E-01 0.220E-01
DAV: 12 -0.903005579855E+02 -0.30239E-02 -0.28903E-03 677 0.448E-01 0.140E-01
DAV: 13 -0.903036590729E+02 -0.31011E-02 -0.21775E-03 628 0.336E-01 0.105E-01
DAV: 14 -0.903081024422E+02 -0.44434E-02 -0.28491E-03 614 0.313E-01 0.586E-02
DAV: 15 -0.903095107711E+02 -0.14083E-02 -0.37535E-04 688 0.108E-01 0.501E-02
DAV: 16 -0.903120507576E+02 -0.25400E-02 -0.10220E-03 719 0.223E-01 0.429E-02
DAV: 17 -0.903128906969E+02 -0.83994E-03 -0.18884E-04 680 0.835E-02 0.394E-02
DAV: 18 -0.903135329120E+02 -0.64222E-03 -0.16674E-04 719 0.746E-02 0.195E-02
DAV: 19 -0.903139068120E+02 -0.37390E-03 -0.10851E-04 682 0.643E-02 0.125E-02
DAV: 20 -0.903141037250E+02 -0.19691E-03 -0.18639E-05 466 0.236E-02 0.101E-02
DAV: 21 -0.903141853762E+02 -0.81651E-04 -0.14596E-05 488 0.193E-02 0.438E-03
DAV: 22 -0.903142446507E+02 -0.59274E-04 -0.11253E-05 428 0.164E-02 0.179E-03
DAV: 23 -0.903142506309E+02 -0.59802E-05 -0.22193E-06 520 0.695E-03
1 F= -.90314251E+02 E0= -.90322563E+02 d E =0.249362E-01