./iterations/neb0_image08_iter185_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 0.374356274940E+03 0.37436E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.359730357831E+01 -0.37076E+03 -0.35853E+03 863 0.196E+02
DAV: 3 -0.966737414560E+02 -0.10027E+03 -0.99966E+02 669 0.117E+02
DAV: 4 -0.101269771740E+03 -0.45960E+01 -0.45838E+01 728 0.287E+01
DAV: 5 -0.101360084576E+03 -0.90313E-01 -0.90259E-01 712 0.364E+00 0.228E+01
DAV: 6 -0.926648932510E+02 0.86952E+01 -0.30920E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.917904040806E+02 0.87449E+00 -0.17251E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914146328478E+02 0.37577E+00 -0.54559E-01 720 0.397E+00 0.162E+00
DAV: 9 -0.913347349394E+02 0.79898E-01 -0.13078E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.913266542596E+02 0.80807E-02 -0.43941E-02 744 0.109E+00 0.300E-01
DAV: 11 -0.913313924571E+02 -0.47382E-02 -0.12921E-02 605 0.591E-01 0.143E-01
DAV: 12 -0.913343841574E+02 -0.29917E-02 -0.27440E-03 630 0.247E-01 0.100E-01
DAV: 13 -0.913377744636E+02 -0.33903E-02 -0.14892E-03 631 0.197E-01 0.453E-02
DAV: 14 -0.913415334320E+02 -0.37590E-02 -0.10856E-03 711 0.221E-01 0.458E-02
DAV: 15 -0.913422148586E+02 -0.68143E-03 -0.24025E-04 712 0.103E-01 0.347E-02
DAV: 16 -0.913430699138E+02 -0.85506E-03 -0.21567E-04 701 0.863E-02 0.126E-02
DAV: 17 -0.913439735558E+02 -0.90364E-03 -0.97237E-05 656 0.446E-02 0.132E-02
DAV: 18 -0.913442532623E+02 -0.27971E-03 -0.27019E-05 608 0.210E-02 0.103E-02
DAV: 19 -0.913443845839E+02 -0.13132E-03 -0.31216E-05 576 0.326E-02 0.435E-03
DAV: 20 -0.913444027284E+02 -0.18145E-04 -0.39750E-06 520 0.125E-02 0.358E-03
DAV: 21 -0.913444172205E+02 -0.14492E-04 -0.27591E-06 410 0.885E-03 0.125E-03
DAV: 22 -0.913444257714E+02 -0.85509E-05 -0.12406E-06 437 0.462E-03
1 F= -.91344426E+02 E0= -.91349565E+02 d E =0.154163E-01