./iterations/neb0_image06_iter68_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 0.375940431248E+03 0.37594E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.422186962725E+01 -0.37172E+03 -0.35939E+03 866 0.195E+02
DAV: 3 -0.954771250734E+02 -0.99699E+02 -0.99376E+02 648 0.117E+02
DAV: 4 -0.100101127561E+03 -0.46240E+01 -0.46127E+01 704 0.295E+01
DAV: 5 -0.100196356460E+03 -0.95229E-01 -0.95189E-01 728 0.378E+00 0.226E+01
DAV: 6 -0.915790066342E+02 0.86173E+01 -0.30760E+01 685 0.305E+01 0.118E+01
DAV: 7 -0.907335940291E+02 0.84541E+00 -0.16921E+00 720 0.623E+00 0.481E+00
DAV: 8 -0.903485108363E+02 0.38508E+00 -0.53990E-01 704 0.410E+00 0.165E+00
DAV: 9 -0.902586183186E+02 0.89893E-01 -0.13069E-01 720 0.160E+00 0.424E-01
DAV: 10 -0.902486914805E+02 0.99268E-02 -0.47823E-02 720 0.112E+00 0.315E-01
DAV: 11 -0.902533695841E+02 -0.46781E-02 -0.13138E-02 613 0.643E-01 0.162E-01
DAV: 12 -0.902553944902E+02 -0.20249E-02 -0.26534E-03 646 0.249E-01 0.130E-01
DAV: 13 -0.902601960874E+02 -0.48016E-02 -0.38220E-03 633 0.387E-01 0.748E-02
DAV: 14 -0.902618273992E+02 -0.16313E-02 -0.50304E-04 712 0.143E-01 0.575E-02
DAV: 15 -0.902650288630E+02 -0.32015E-02 -0.89019E-04 636 0.173E-01 0.357E-02
DAV: 16 -0.902659999603E+02 -0.97110E-03 -0.18084E-04 701 0.728E-02 0.298E-02
DAV: 17 -0.902665749612E+02 -0.57500E-03 -0.84107E-05 674 0.565E-02 0.147E-02
DAV: 18 -0.902672430068E+02 -0.66805E-03 -0.10116E-04 636 0.466E-02 0.980E-03
DAV: 19 -0.902673133885E+02 -0.70382E-04 -0.55902E-06 528 0.134E-02 0.913E-03
DAV: 20 -0.902674111100E+02 -0.97722E-04 -0.16700E-05 429 0.245E-02 0.395E-03
DAV: 21 -0.902674212796E+02 -0.10170E-04 -0.53065E-06 528 0.127E-02 0.333E-03
DAV: 22 -0.902674275104E+02 -0.62308E-05 -0.15379E-06 445 0.815E-03
1 F= -.90267428E+02 E0= -.90271949E+02 d E =0.135645E-01