iterations/neb0_image08_iter224_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 0.373531963812E+03 0.37353E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.266720787429E+01 -0.37086E+03 -0.35916E+03 877 0.196E+02
DAV: 3 -0.966431190601E+02 -0.99310E+02 -0.99006E+02 656 0.116E+02
DAV: 4 -0.101222838727E+03 -0.45797E+01 -0.45676E+01 728 0.290E+01
DAV: 5 -0.101313125540E+03 -0.90287E-01 -0.90238E-01 728 0.367E+00 0.227E+01
DAV: 6 -0.926466352630E+02 0.86665E+01 -0.30984E+01 717 0.300E+01 0.119E+01
DAV: 7 -0.917882998695E+02 0.85834E+00 -0.17247E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914144279167E+02 0.37387E+00 -0.54581E-01 720 0.396E+00 0.161E+00
DAV: 9 -0.913348687000E+02 0.79559E-01 -0.13020E-01 728 0.154E+00 0.418E-01
DAV: 10 -0.913270296742E+02 0.78390E-02 -0.44067E-02 744 0.106E+00 0.299E-01
DAV: 11 -0.913318861005E+02 -0.48564E-02 -0.12927E-02 608 0.590E-01 0.143E-01
DAV: 12 -0.913348548694E+02 -0.29688E-02 -0.26577E-03 634 0.222E-01 0.113E-01
DAV: 13 -0.913385809656E+02 -0.37261E-02 -0.24725E-03 639 0.260E-01 0.525E-02
DAV: 14 -0.913416286699E+02 -0.30477E-02 -0.69554E-04 653 0.153E-01 0.239E-02
DAV: 15 -0.913430192076E+02 -0.13905E-02 -0.14039E-04 680 0.615E-02 0.197E-02
DAV: 16 -0.913440812847E+02 -0.10621E-02 -0.15261E-04 639 0.698E-02 0.114E-02
DAV: 17 -0.913444932820E+02 -0.41200E-03 -0.33633E-05 600 0.312E-02 0.116E-02
DAV: 18 -0.913446903234E+02 -0.19704E-03 -0.35188E-05 629 0.330E-02 0.521E-03
DAV: 19 -0.913447667474E+02 -0.76424E-04 -0.78085E-06 464 0.150E-02 0.250E-03
DAV: 20 -0.913447899596E+02 -0.23212E-04 -0.39695E-06 488 0.846E-03 0.186E-03
DAV: 21 -0.913447994718E+02 -0.95122E-05 -0.12602E-06 420 0.497E-03
1 F= -.91344799E+02 E0= -.91349655E+02 d E =0.145653E-01