iterations/neb0_image05_iter154_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 0.363176017470E+03 0.36318E+03 -0.14335E+04 640 0.799E+02
DAV: 2 0.742889138461E+00 -0.36243E+03 -0.35002E+03 869 0.192E+02
DAV: 3 -0.953475787873E+02 -0.96090E+02 -0.95767E+02 672 0.115E+02
DAV: 4 -0.996017634176E+02 -0.42542E+01 -0.42442E+01 728 0.275E+01
DAV: 5 -0.996854079242E+02 -0.83645E-01 -0.83613E-01 736 0.346E+00 0.218E+01
DAV: 6 -0.913046111699E+02 0.83808E+01 -0.30441E+01 680 0.297E+01 0.115E+01
DAV: 7 -0.905395829979E+02 0.76503E+00 -0.17848E+00 736 0.628E+00 0.478E+00
DAV: 8 -0.901691735009E+02 0.37041E+00 -0.53104E-01 720 0.415E+00 0.168E+00
DAV: 9 -0.900774052863E+02 0.91768E-01 -0.12889E-01 720 0.159E+00 0.423E-01
DAV: 10 -0.900687932499E+02 0.86120E-02 -0.49664E-02 717 0.119E+00 0.324E-01
DAV: 11 -0.900732333264E+02 -0.44401E-02 -0.93422E-03 605 0.590E-01 0.128E-01
DAV: 12 -0.900755487714E+02 -0.23154E-02 -0.48173E-03 629 0.349E-01 0.132E-01
DAV: 13 -0.900779367742E+02 -0.23880E-02 -0.16740E-03 836 0.298E-01 0.709E-02
DAV: 14 -0.900814456185E+02 -0.35088E-02 -0.11458E-03 647 0.145E-01 0.522E-02
DAV: 15 -0.900839725775E+02 -0.25270E-02 -0.29039E-04 680 0.878E-02 0.384E-02
DAV: 16 -0.900855171068E+02 -0.15445E-02 -0.47580E-04 685 0.116E-01 0.279E-02
DAV: 17 -0.900862064828E+02 -0.68938E-03 -0.11392E-04 789 0.722E-02 0.226E-02
DAV: 18 -0.900864412896E+02 -0.23481E-03 -0.78668E-05 688 0.483E-02 0.149E-02
DAV: 19 -0.900865756476E+02 -0.13436E-03 -0.17476E-05 466 0.306E-02 0.747E-03
DAV: 20 -0.900866722723E+02 -0.96625E-04 -0.37300E-05 581 0.346E-02 0.717E-03
DAV: 21 -0.900867127185E+02 -0.40446E-04 -0.56825E-06 458 0.184E-02 0.403E-03
DAV: 22 -0.900867221511E+02 -0.94326E-05 -0.61666E-06 496 0.127E-02
1 F= -.90086722E+02 E0= -.90094689E+02 d E =0.239018E-01