./iterations/neb0_image03_iter86_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 0.367097500762E+03 0.36710E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.281212365783E+01 -0.36429E+03 -0.35177E+03 853 0.195E+02
DAV: 3 -0.955960341106E+02 -0.98408E+02 -0.98089E+02 661 0.116E+02
DAV: 4 -0.100126900073E+03 -0.45309E+01 -0.45212E+01 720 0.287E+01
DAV: 5 -0.100215321028E+03 -0.88421E-01 -0.88386E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916406962203E+02 0.85746E+01 -0.30659E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.907958750012E+02 0.84482E+00 -0.18281E+00 696 0.639E+00 0.483E+00
DAV: 8 -0.903909463728E+02 0.40493E+00 -0.57142E-01 696 0.431E+00 0.164E+00
DAV: 9 -0.902961236616E+02 0.94823E-01 -0.13781E-01 704 0.173E+00 0.435E-01
DAV: 10 -0.902882164376E+02 0.79072E-02 -0.50671E-02 704 0.121E+00 0.340E-01
DAV: 11 -0.902921280922E+02 -0.39117E-02 -0.86642E-03 605 0.591E-01 0.116E-01
DAV: 12 -0.902947537988E+02 -0.26257E-02 -0.50321E-03 639 0.316E-01 0.126E-01
DAV: 13 -0.902987342742E+02 -0.39805E-02 -0.20148E-03 832 0.364E-01 0.830E-02
DAV: 14 -0.903018189820E+02 -0.30847E-02 -0.10211E-03 661 0.149E-01 0.643E-02
DAV: 15 -0.903042141963E+02 -0.23952E-02 -0.49614E-04 664 0.130E-01 0.313E-02
DAV: 16 -0.903061253511E+02 -0.19112E-02 -0.54476E-04 679 0.127E-01 0.347E-02
DAV: 17 -0.903067025818E+02 -0.57723E-03 -0.11689E-04 712 0.665E-02 0.192E-02
DAV: 18 -0.903069864680E+02 -0.28389E-03 -0.79962E-05 656 0.482E-02 0.678E-03
DAV: 19 -0.903071188420E+02 -0.13237E-03 -0.94762E-06 472 0.170E-02 0.594E-03
DAV: 20 -0.903071955424E+02 -0.76700E-04 -0.10755E-05 450 0.173E-02 0.441E-03
DAV: 21 -0.903072262249E+02 -0.30683E-04 -0.56736E-06 464 0.138E-02 0.223E-03
DAV: 22 -0.903072376570E+02 -0.11432E-04 -0.33068E-06 448 0.116E-02 0.192E-03
DAV: 23 -0.903072402775E+02 -0.26205E-05 -0.10580E-06 488 0.546E-03
1 F= -.90307240E+02 E0= -.90315063E+02 d E =0.234694E-01