iterations/neb0_image08_iter277_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 0.374480719661E+03 0.37448E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.340650315792E+01 -0.37107E+03 -0.35971E+03 877 0.196E+02
DAV: 3 -0.964416081883E+02 -0.99848E+02 -0.99516E+02 648 0.116E+02
DAV: 4 -0.101222147730E+03 -0.47805E+01 -0.47694E+01 712 0.298E+01
DAV: 5 -0.101316854559E+03 -0.94707E-01 -0.94667E-01 720 0.379E+00 0.227E+01
DAV: 6 -0.926553845705E+02 0.86615E+01 -0.30787E+01 717 0.299E+01 0.119E+01
DAV: 7 -0.917859688589E+02 0.86942E+00 -0.16958E+00 728 0.611E+00 0.480E+00
DAV: 8 -0.914111039596E+02 0.37486E+00 -0.55323E-01 728 0.402E+00 0.160E+00
DAV: 9 -0.913319728705E+02 0.79131E-01 -0.12764E-01 728 0.153E+00 0.420E-01
DAV: 10 -0.913235379995E+02 0.84349E-02 -0.44373E-02 728 0.107E+00 0.303E-01
DAV: 11 -0.913283255067E+02 -0.47875E-02 -0.13474E-02 608 0.592E-01 0.150E-01
DAV: 12 -0.913314637631E+02 -0.31383E-02 -0.29496E-03 626 0.231E-01 0.113E-01
DAV: 13 -0.913352544445E+02 -0.37907E-02 -0.25562E-03 639 0.270E-01 0.558E-02
DAV: 14 -0.913383718266E+02 -0.31174E-02 -0.78201E-04 656 0.161E-01 0.246E-02
DAV: 15 -0.913397696912E+02 -0.13979E-02 -0.14587E-04 688 0.624E-02 0.191E-02
DAV: 16 -0.913408565510E+02 -0.10869E-02 -0.17588E-04 647 0.796E-02 0.131E-02
DAV: 17 -0.913412110836E+02 -0.35453E-03 -0.31947E-05 616 0.327E-02 0.117E-02
DAV: 18 -0.913413500209E+02 -0.13894E-03 -0.26125E-05 608 0.313E-02 0.639E-03
DAV: 19 -0.913414806075E+02 -0.13059E-03 -0.12534E-05 431 0.180E-02 0.227E-03
DAV: 20 -0.913415095372E+02 -0.28930E-04 -0.41216E-06 504 0.825E-03 0.144E-03
DAV: 21 -0.913415292167E+02 -0.19680E-04 -0.27630E-06 403 0.689E-03 0.120E-03
DAV: 22 -0.913415310760E+02 -0.18593E-05 -0.59651E-07 520 0.317E-03
1 F= -.91341531E+02 E0= -.91346217E+02 d E =0.140566E-01