iterations/neb0_image08_iter195_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 0.374173881615E+03 0.37417E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.355530220439E+01 -0.37062E+03 -0.35829E+03 869 0.196E+02
DAV: 3 -0.966838468788E+02 -0.10024E+03 -0.99936E+02 669 0.117E+02
DAV: 4 -0.101268612484E+03 -0.45848E+01 -0.45727E+01 728 0.287E+01
DAV: 5 -0.101358593519E+03 -0.89981E-01 -0.89927E-01 712 0.363E+00 0.228E+01
DAV: 6 -0.926578176951E+02 0.87008E+01 -0.31004E+01 704 0.301E+01 0.119E+01
DAV: 7 -0.917907154062E+02 0.86710E+00 -0.17330E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.914160440229E+02 0.37467E+00 -0.53694E-01 720 0.393E+00 0.163E+00
DAV: 9 -0.913351230036E+02 0.80921E-01 -0.13282E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.913271104531E+02 0.80126E-02 -0.44845E-02 760 0.109E+00 0.302E-01
DAV: 11 -0.913319192676E+02 -0.48088E-02 -0.13719E-02 605 0.612E-01 0.148E-01
DAV: 12 -0.913347662716E+02 -0.28470E-02 -0.27697E-03 630 0.240E-01 0.104E-01
DAV: 13 -0.913383508200E+02 -0.35845E-02 -0.19172E-03 639 0.225E-01 0.474E-02
DAV: 14 -0.913419086243E+02 -0.35578E-02 -0.93527E-04 653 0.196E-01 0.363E-02
DAV: 15 -0.913428554638E+02 -0.94684E-03 -0.21415E-04 696 0.900E-02 0.286E-02
DAV: 16 -0.913436788664E+02 -0.82340E-03 -0.16815E-04 701 0.808E-02 0.102E-02
DAV: 17 -0.913444785072E+02 -0.79964E-03 -0.81816E-05 656 0.390E-02 0.140E-02
DAV: 18 -0.913447041097E+02 -0.22560E-03 -0.20067E-05 560 0.226E-02 0.915E-03
DAV: 19 -0.913448372713E+02 -0.13316E-03 -0.42041E-05 640 0.367E-02 0.703E-03
DAV: 20 -0.913448486080E+02 -0.11337E-04 -0.39316E-06 528 0.176E-02 0.408E-03
DAV: 21 -0.913448582171E+02 -0.96091E-05 -0.54320E-06 418 0.130E-02
1 F= -.91344858E+02 E0= -.91349839E+02 d E =0.149437E-01