./iterations/neb0_image03_iter53_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 0.367854465428E+03 0.36785E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.391865256907E+01 -0.36394E+03 -0.35068E+03 845 0.195E+02
DAV: 3 -0.953327469008E+02 -0.99251E+02 -0.98920E+02 656 0.116E+02
DAV: 4 -0.100047006947E+03 -0.47143E+01 -0.47041E+01 704 0.294E+01
DAV: 5 -0.100139481815E+03 -0.92475E-01 -0.92434E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.915521502920E+02 0.85873E+01 -0.30635E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.907084681097E+02 0.84368E+00 -0.18628E+00 704 0.643E+00 0.483E+00
DAV: 8 -0.903036085889E+02 0.40486E+00 -0.57449E-01 696 0.436E+00 0.165E+00
DAV: 9 -0.902085228246E+02 0.95086E-01 -0.14284E-01 696 0.173E+00 0.435E-01
DAV: 10 -0.902003389202E+02 0.81839E-02 -0.48443E-02 704 0.118E+00 0.330E-01
DAV: 11 -0.902042747186E+02 -0.39358E-02 -0.83105E-03 608 0.532E-01 0.120E-01
DAV: 12 -0.902073866951E+02 -0.31120E-02 -0.50712E-03 639 0.337E-01 0.132E-01
DAV: 13 -0.902104325409E+02 -0.30458E-02 -0.16947E-03 832 0.333E-01 0.718E-02
DAV: 14 -0.902139085615E+02 -0.34760E-02 -0.11753E-03 634 0.154E-01 0.548E-02
DAV: 15 -0.902163434876E+02 -0.24349E-02 -0.32592E-04 736 0.100E-01 0.349E-02
DAV: 16 -0.902180199652E+02 -0.16765E-02 -0.55810E-04 680 0.129E-01 0.336E-02
DAV: 17 -0.902186843381E+02 -0.66437E-03 -0.15434E-04 744 0.782E-02 0.160E-02
DAV: 18 -0.902190842949E+02 -0.39996E-03 -0.92520E-05 650 0.476E-02 0.911E-03
DAV: 19 -0.902191706521E+02 -0.86357E-04 -0.52275E-06 496 0.167E-02 0.681E-03
DAV: 20 -0.902192473762E+02 -0.76724E-04 -0.21990E-05 492 0.298E-02 0.521E-03
DAV: 21 -0.902192734946E+02 -0.26118E-04 -0.44631E-06 488 0.148E-02 0.273E-03
DAV: 22 -0.902192847431E+02 -0.11249E-04 -0.34092E-06 448 0.100E-02 0.110E-03
DAV: 23 -0.902192895463E+02 -0.48031E-05 -0.10157E-06 461 0.461E-03
1 F= -.90219290E+02 E0= -.90228332E+02 d E =0.271276E-01