./iterations/neb0_image06_iter85_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 0.375779860193E+03 0.37578E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.366559010416E+01 -0.37211E+03 -0.35987E+03 877 0.195E+02
DAV: 3 -0.955666716407E+02 -0.99232E+02 -0.98910E+02 648 0.117E+02
DAV: 4 -0.100188104740E+03 -0.46214E+01 -0.46102E+01 712 0.293E+01
DAV: 5 -0.100282410651E+03 -0.94306E-01 -0.94270E-01 744 0.373E+00 0.227E+01
DAV: 6 -0.916313540225E+02 0.86511E+01 -0.30936E+01 690 0.307E+01 0.118E+01
DAV: 7 -0.907960891362E+02 0.83526E+00 -0.17183E+00 720 0.628E+00 0.481E+00
DAV: 8 -0.904136807801E+02 0.38241E+00 -0.52422E-01 712 0.402E+00 0.167E+00
DAV: 9 -0.903214194218E+02 0.92261E-01 -0.13285E-01 720 0.161E+00 0.423E-01
DAV: 10 -0.903115189386E+02 0.99005E-02 -0.44186E-02 728 0.108E+00 0.305E-01
DAV: 11 -0.903161470674E+02 -0.46281E-02 -0.12872E-02 615 0.644E-01 0.167E-01
DAV: 12 -0.903179657417E+02 -0.18187E-02 -0.22645E-03 672 0.251E-01 0.121E-01
DAV: 13 -0.903227938068E+02 -0.48281E-02 -0.36749E-03 646 0.383E-01 0.738E-02
DAV: 14 -0.903242127359E+02 -0.14189E-02 -0.51188E-04 720 0.157E-01 0.524E-02
DAV: 15 -0.903272772171E+02 -0.30645E-02 -0.84573E-04 644 0.163E-01 0.407E-02
DAV: 16 -0.903285826259E+02 -0.13054E-02 -0.21736E-04 701 0.742E-02 0.314E-02
DAV: 17 -0.903293681560E+02 -0.78553E-03 -0.15215E-04 727 0.837E-02 0.131E-02
DAV: 18 -0.903299150299E+02 -0.54687E-03 -0.10354E-04 666 0.552E-02 0.142E-02
DAV: 19 -0.903300740466E+02 -0.15902E-03 -0.10723E-05 480 0.177E-02 0.124E-02
DAV: 20 -0.903301630213E+02 -0.88975E-04 -0.20324E-05 511 0.296E-02 0.450E-03
DAV: 21 -0.903302125602E+02 -0.49539E-04 -0.83886E-06 461 0.150E-02 0.301E-03
DAV: 22 -0.903302301846E+02 -0.17624E-04 -0.35369E-06 450 0.109E-02 0.409E-03
DAV: 23 -0.903302384611E+02 -0.82765E-05 -0.17067E-06 425 0.955E-03
1 F= -.90330238E+02 E0= -.90335292E+02 d E =0.151601E-01