./iterations/neb0_image08_iter102_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 0.375837214277E+03 0.37584E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.353452421871E+01 -0.37230E+03 -0.35923E+03 869 0.196E+02
DAV: 3 -0.967696278081E+02 -0.10030E+03 -0.99964E+02 688 0.117E+02
DAV: 4 -0.101145428457E+03 -0.43758E+01 -0.43657E+01 688 0.275E+01
DAV: 5 -0.101232516380E+03 -0.87088E-01 -0.87050E-01 736 0.347E+00 0.227E+01
DAV: 6 -0.926030024079E+02 0.86295E+01 -0.30775E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.917370251428E+02 0.86598E+00 -0.16952E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913579932613E+02 0.37903E+00 -0.55639E-01 704 0.402E+00 0.162E+00
DAV: 9 -0.912757090627E+02 0.82284E-01 -0.13026E-01 712 0.156E+00 0.424E-01
DAV: 10 -0.912665963503E+02 0.91127E-02 -0.46468E-02 728 0.113E+00 0.306E-01
DAV: 11 -0.912711736682E+02 -0.45773E-02 -0.13384E-02 624 0.598E-01 0.149E-01
DAV: 12 -0.912741575336E+02 -0.29839E-02 -0.30210E-03 606 0.255E-01 0.119E-01
DAV: 13 -0.912776589817E+02 -0.35014E-02 -0.13829E-03 720 0.213E-01 0.471E-02
DAV: 14 -0.912808081908E+02 -0.31492E-02 -0.69092E-04 661 0.141E-01 0.386E-02
DAV: 15 -0.912826702936E+02 -0.18621E-02 -0.19515E-04 640 0.825E-02 0.419E-02
DAV: 16 -0.912839538868E+02 -0.12836E-02 -0.38696E-04 674 0.994E-02 0.194E-02
DAV: 17 -0.912843564343E+02 -0.40255E-03 -0.72366E-05 728 0.598E-02 0.145E-02
DAV: 18 -0.912846133106E+02 -0.25688E-03 -0.45122E-05 647 0.317E-02 0.126E-02
DAV: 19 -0.912847054159E+02 -0.92105E-04 -0.10768E-05 456 0.202E-02 0.619E-03
DAV: 20 -0.912847409290E+02 -0.35513E-04 -0.14891E-05 472 0.242E-02 0.292E-03
DAV: 21 -0.912847622134E+02 -0.21284E-04 -0.34171E-06 429 0.952E-03 0.284E-03
DAV: 22 -0.912847694049E+02 -0.71914E-05 -0.12351E-06 464 0.635E-03
1 F= -.91284769E+02 E0= -.91289734E+02 d E =0.148930E-01