./iterations/neb0_image04_iter149_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 0.364334323726E+03 0.36433E+03 -0.14352E+04 640 0.799E+02
DAV: 2 0.122307699952E+01 -0.36311E+03 -0.35021E+03 874 0.194E+02
DAV: 3 -0.957485475399E+02 -0.96972E+02 -0.96643E+02 661 0.115E+02
DAV: 4 -0.100114895714E+03 -0.43663E+01 -0.43553E+01 720 0.282E+01
DAV: 5 -0.100198244644E+03 -0.83349E-01 -0.83319E-01 736 0.355E+00 0.223E+01
DAV: 6 -0.915309229772E+02 0.86673E+01 -0.30737E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.906779673541E+02 0.85296E+00 -0.18242E+00 712 0.633E+00 0.483E+00
DAV: 8 -0.902747705431E+02 0.40320E+00 -0.56286E-01 696 0.425E+00 0.165E+00
DAV: 9 -0.901780120410E+02 0.96759E-01 -0.12797E-01 720 0.185E+00 0.442E-01
DAV: 10 -0.901691957315E+02 0.88163E-02 -0.44921E-02 704 0.107E+00 0.348E-01
DAV: 11 -0.901748025315E+02 -0.56068E-02 -0.20286E-02 688 0.973E-01 0.237E-01
DAV: 12 -0.901747436523E+02 0.58879E-04 -0.71525E-03 656 0.527E-01 0.149E-01
DAV: 13 -0.901785914287E+02 -0.38478E-02 -0.60990E-03 706 0.445E-01 0.101E-01
DAV: 14 -0.901818728345E+02 -0.32814E-02 -0.88073E-04 669 0.167E-01 0.574E-02
DAV: 15 -0.901848386528E+02 -0.29658E-02 -0.59518E-04 661 0.114E-01 0.240E-02
DAV: 16 -0.901870788866E+02 -0.22402E-02 -0.26606E-04 663 0.708E-02 0.148E-02
DAV: 17 -0.901879770002E+02 -0.89811E-03 -0.72542E-05 600 0.356E-02 0.126E-02
DAV: 18 -0.901884186015E+02 -0.44160E-03 -0.89947E-05 652 0.502E-02 0.705E-03
DAV: 19 -0.901884437542E+02 -0.25153E-04 -0.63616E-06 544 0.163E-02 0.614E-03
DAV: 20 -0.901885042533E+02 -0.60499E-04 -0.10108E-05 434 0.188E-02 0.389E-03
DAV: 21 -0.901885539460E+02 -0.49693E-04 -0.59628E-06 445 0.119E-02 0.300E-03
DAV: 22 -0.901885678841E+02 -0.13938E-04 -0.30924E-06 488 0.114E-02 0.141E-03
DAV: 23 -0.901885734983E+02 -0.56141E-05 -0.20848E-06 434 0.100E-02
1 F= -.90188573E+02 E0= -.90197844E+02 d E =0.278126E-01