iterations/neb0_image09_iter55_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 0.374485110329E+03 0.37449E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.252122754594E+01 -0.37196E+03 -0.35960E+03 877 0.196E+02
DAV: 3 -0.966759306131E+02 -0.99197E+02 -0.98861E+02 656 0.117E+02
DAV: 4 -0.101216129594E+03 -0.45402E+01 -0.45310E+01 688 0.289E+01
DAV: 5 -0.101306501077E+03 -0.90371E-01 -0.90331E-01 736 0.369E+00 0.227E+01
DAV: 6 -0.926632565932E+02 0.86432E+01 -0.30847E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.917983807036E+02 0.86488E+00 -0.17116E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914212183526E+02 0.37716E+00 -0.54676E-01 712 0.397E+00 0.162E+00
DAV: 9 -0.913389053086E+02 0.82313E-01 -0.12997E-01 701 0.154E+00 0.423E-01
DAV: 10 -0.913299184874E+02 0.89868E-02 -0.46248E-02 752 0.112E+00 0.305E-01
DAV: 11 -0.913346348117E+02 -0.47163E-02 -0.13970E-02 610 0.611E-01 0.154E-01
DAV: 12 -0.913375054083E+02 -0.28706E-02 -0.30479E-03 631 0.243E-01 0.118E-01
DAV: 13 -0.913413480597E+02 -0.38427E-02 -0.19276E-03 720 0.240E-01 0.451E-02
DAV: 14 -0.913446809690E+02 -0.33329E-02 -0.56211E-04 661 0.136E-01 0.299E-02
DAV: 15 -0.913461954451E+02 -0.15145E-02 -0.15131E-04 672 0.698E-02 0.336E-02
DAV: 16 -0.913473312597E+02 -0.11358E-02 -0.28078E-04 661 0.916E-02 0.170E-02
DAV: 17 -0.913476944985E+02 -0.36324E-03 -0.41167E-05 688 0.484E-02 0.131E-02
DAV: 18 -0.913479222351E+02 -0.22774E-03 -0.50327E-05 637 0.377E-02 0.115E-02
DAV: 19 -0.913480497908E+02 -0.12756E-03 -0.13589E-05 466 0.240E-02 0.450E-03
DAV: 20 -0.913480876743E+02 -0.37883E-04 -0.11085E-05 456 0.167E-02 0.200E-03
DAV: 21 -0.913481108534E+02 -0.23179E-04 -0.29386E-06 422 0.713E-03 0.155E-03
DAV: 22 -0.913481155239E+02 -0.46705E-05 -0.90503E-07 464 0.451E-03
1 F= -.91348116E+02 E0= -.91352913E+02 d E =0.143935E-01