iterations/neb0_image08_iter200_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 0.373434577667E+03 0.37343E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.350205149050E+01 -0.36993E+03 -0.35754E+03 869 0.196E+02
DAV: 3 -0.966918255015E+02 -0.10019E+03 -0.99887E+02 669 0.116E+02
DAV: 4 -0.101234521494E+03 -0.45427E+01 -0.45299E+01 720 0.287E+01
DAV: 5 -0.101323057759E+03 -0.88536E-01 -0.88482E-01 720 0.363E+00 0.227E+01
DAV: 6 -0.926460021305E+02 0.86771E+01 -0.31061E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.917892645051E+02 0.85674E+00 -0.17392E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.914155202703E+02 0.37374E+00 -0.53736E-01 720 0.393E+00 0.162E+00
DAV: 9 -0.913345678003E+02 0.80952E-01 -0.13227E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913266134149E+02 0.79544E-02 -0.45005E-02 768 0.108E+00 0.302E-01
DAV: 11 -0.913314743708E+02 -0.48610E-02 -0.13854E-02 616 0.616E-01 0.150E-01
DAV: 12 -0.913342654378E+02 -0.27911E-02 -0.27946E-03 628 0.240E-01 0.105E-01
DAV: 13 -0.913379032902E+02 -0.36379E-02 -0.20828E-03 634 0.234E-01 0.489E-02
DAV: 14 -0.913413993395E+02 -0.34960E-02 -0.93371E-04 661 0.188E-01 0.350E-02
DAV: 15 -0.913423380320E+02 -0.93869E-03 -0.20871E-04 704 0.889E-02 0.260E-02
DAV: 16 -0.913432466208E+02 -0.90859E-03 -0.18164E-04 698 0.829E-02 0.119E-02
DAV: 17 -0.913439477753E+02 -0.70115E-03 -0.64068E-05 653 0.364E-02 0.139E-02
DAV: 18 -0.913441692009E+02 -0.22143E-03 -0.23784E-05 568 0.251E-02 0.783E-03
DAV: 19 -0.913443011290E+02 -0.13193E-03 -0.33224E-05 607 0.297E-02 0.605E-03
DAV: 20 -0.913443126160E+02 -0.11487E-04 -0.23170E-06 528 0.134E-02 0.349E-03
DAV: 21 -0.913443268375E+02 -0.14221E-04 -0.55607E-06 406 0.132E-02 0.181E-03
DAV: 22 -0.913443328990E+02 -0.60615E-05 -0.85173E-07 456 0.703E-03
1 F= -.91344333E+02 E0= -.91349437E+02 d E =0.153111E-01