./iterations/neb0_image05_iter171_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 0.370846910434E+03 0.37085E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.423987131952E+01 -0.36661E+03 -0.35263E+03 850 0.195E+02
DAV: 3 -0.953637331253E+02 -0.99604E+02 -0.99276E+02 680 0.116E+02
DAV: 4 -0.999911656959E+02 -0.46274E+01 -0.46161E+01 712 0.282E+01
DAV: 5 -0.100084767794E+03 -0.93602E-01 -0.93547E-01 728 0.355E+00 0.223E+01
DAV: 6 -0.915761216809E+02 0.85086E+01 -0.30115E+01 672 0.297E+01 0.118E+01
DAV: 7 -0.907505911370E+02 0.82553E+00 -0.18249E+00 736 0.643E+00 0.482E+00
DAV: 8 -0.903714313203E+02 0.37916E+00 -0.53745E-01 736 0.424E+00 0.171E+00
DAV: 9 -0.902823858379E+02 0.89045E-01 -0.14414E-01 712 0.171E+00 0.449E-01
DAV: 10 -0.902747979289E+02 0.75879E-02 -0.36731E-02 808 0.125E+00 0.313E-01
DAV: 11 -0.902767525098E+02 -0.19546E-02 -0.59830E-03 640 0.479E-01 0.186E-01
DAV: 12 -0.902791640733E+02 -0.24116E-02 -0.60232E-03 632 0.421E-01 0.105E-01
DAV: 13 -0.902823645923E+02 -0.32005E-02 -0.96126E-04 636 0.186E-01 0.830E-02
DAV: 14 -0.902859362009E+02 -0.35716E-02 -0.14389E-03 664 0.184E-01 0.369E-02
DAV: 15 -0.902890600231E+02 -0.31238E-02 -0.35099E-04 669 0.898E-02 0.299E-02
DAV: 16 -0.902909399618E+02 -0.18799E-02 -0.31548E-04 688 0.889E-02 0.169E-02
DAV: 17 -0.902915232172E+02 -0.58326E-03 -0.44581E-05 624 0.413E-02 0.127E-02
DAV: 18 -0.902919307221E+02 -0.40750E-03 -0.93465E-05 620 0.488E-02 0.873E-03
DAV: 19 -0.902919598971E+02 -0.29175E-04 -0.50435E-06 528 0.174E-02 0.589E-03
DAV: 20 -0.902920065422E+02 -0.46645E-04 -0.15820E-05 487 0.256E-02 0.383E-03
DAV: 21 -0.902920305094E+02 -0.23967E-04 -0.30446E-06 480 0.115E-02 0.355E-03
DAV: 22 -0.902920425705E+02 -0.12061E-04 -0.23948E-06 420 0.785E-03 0.223E-03
DAV: 23 -0.902920444049E+02 -0.18344E-05 -0.10163E-06 512 0.689E-03
1 F= -.90292044E+02 E0= -.90300459E+02 d E =0.252444E-01