./iterations/neb0_image08_iter242_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 0.374469715522E+03 0.37447E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.375716416216E+01 -0.37071E+03 -0.35827E+03 869 0.196E+02
DAV: 3 -0.968033041223E+02 -0.10056E+03 -0.10024E+03 672 0.117E+02
DAV: 4 -0.101306516428E+03 -0.45032E+01 -0.44907E+01 720 0.284E+01
DAV: 5 -0.101393268790E+03 -0.86752E-01 -0.86703E-01 736 0.358E+00 0.228E+01
DAV: 6 -0.926720655922E+02 0.87212E+01 -0.30988E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917920246185E+02 0.88004E+00 -0.17365E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914145706113E+02 0.37745E+00 -0.54426E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913350655529E+02 0.79505E-01 -0.13388E-01 728 0.156E+00 0.420E-01
DAV: 10 -0.913273438026E+02 0.77218E-02 -0.46794E-02 736 0.112E+00 0.309E-01
DAV: 11 -0.913323476573E+02 -0.50039E-02 -0.16061E-02 624 0.659E-01 0.162E-01
DAV: 12 -0.913350970508E+02 -0.27494E-02 -0.30120E-03 631 0.237E-01 0.116E-01
DAV: 13 -0.913388117094E+02 -0.37147E-02 -0.30242E-03 642 0.289E-01 0.603E-02
DAV: 14 -0.913419083099E+02 -0.30966E-02 -0.97541E-04 656 0.179E-01 0.278E-02
DAV: 15 -0.913432969279E+02 -0.13886E-02 -0.17854E-04 680 0.729E-02 0.173E-02
DAV: 16 -0.913443887584E+02 -0.10918E-02 -0.13858E-04 636 0.622E-02 0.101E-02
DAV: 17 -0.913447888461E+02 -0.40009E-03 -0.33562E-05 608 0.266E-02 0.963E-03
DAV: 18 -0.913449616059E+02 -0.17276E-03 -0.23651E-05 525 0.293E-02 0.393E-03
DAV: 19 -0.913450401496E+02 -0.78544E-04 -0.84646E-06 461 0.127E-02 0.331E-03
DAV: 20 -0.913450588925E+02 -0.18743E-04 -0.27662E-06 488 0.828E-03 0.153E-03
DAV: 21 -0.913450718166E+02 -0.12924E-04 -0.25367E-06 423 0.862E-03 0.186E-03
DAV: 22 -0.913450736246E+02 -0.18080E-05 -0.63492E-07 480 0.397E-03
1 F= -.91345074E+02 E0= -.91350104E+02 d E =0.150924E-01