./iterations/neb0_image09_iter44_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 0.374386670330E+03 0.37439E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.255943205710E+01 -0.37183E+03 -0.35942E+03 877 0.196E+02
DAV: 3 -0.966316811212E+02 -0.99191E+02 -0.98857E+02 656 0.117E+02
DAV: 4 -0.101177979529E+03 -0.45463E+01 -0.45370E+01 696 0.289E+01
DAV: 5 -0.101268210907E+03 -0.90231E-01 -0.90192E-01 736 0.369E+00 0.226E+01
DAV: 6 -0.926414839277E+02 0.86267E+01 -0.30836E+01 709 0.300E+01 0.119E+01
DAV: 7 -0.917840693555E+02 0.85741E+00 -0.17064E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914089125382E+02 0.37516E+00 -0.54736E-01 712 0.398E+00 0.163E+00
DAV: 9 -0.913260940276E+02 0.82819E-01 -0.12894E-01 701 0.154E+00 0.422E-01
DAV: 10 -0.913170748034E+02 0.90192E-02 -0.44027E-02 760 0.108E+00 0.299E-01
DAV: 11 -0.913219742335E+02 -0.48994E-02 -0.13557E-02 599 0.600E-01 0.160E-01
DAV: 12 -0.913246880431E+02 -0.27138E-02 -0.27181E-03 642 0.244E-01 0.107E-01
DAV: 13 -0.913284506404E+02 -0.37626E-02 -0.17554E-03 661 0.216E-01 0.471E-02
DAV: 14 -0.913318966451E+02 -0.34460E-02 -0.71546E-04 653 0.176E-01 0.311E-02
DAV: 15 -0.913331934236E+02 -0.12968E-02 -0.16635E-04 696 0.777E-02 0.304E-02
DAV: 16 -0.913342328482E+02 -0.10394E-02 -0.21756E-04 666 0.896E-02 0.166E-02
DAV: 17 -0.913348977298E+02 -0.66488E-03 -0.70545E-05 677 0.489E-02 0.128E-02
DAV: 18 -0.913351571012E+02 -0.25937E-03 -0.45458E-05 584 0.356E-02 0.114E-02
DAV: 19 -0.913352850236E+02 -0.12792E-03 -0.18520E-05 469 0.227E-02 0.356E-03
DAV: 20 -0.913353207238E+02 -0.35700E-04 -0.70567E-06 464 0.127E-02 0.207E-03
DAV: 21 -0.913353453583E+02 -0.24634E-04 -0.37816E-06 412 0.912E-03 0.155E-03
DAV: 22 -0.913353497283E+02 -0.43700E-05 -0.11298E-06 496 0.441E-03
1 F= -.91335350E+02 E0= -.91340443E+02 d E =0.152803E-01