iterations/neb0_image04_iter189_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 0.363319589501E+03 0.36332E+03 -0.14357E+04 640 0.799E+02
DAV: 2 0.116019070770E+01 -0.36216E+03 -0.34930E+03 858 0.193E+02
DAV: 3 -0.962730123291E+02 -0.97433E+02 -0.97141E+02 693 0.115E+02
DAV: 4 -0.100281387199E+03 -0.40084E+01 -0.39988E+01 696 0.265E+01
DAV: 5 -0.100356195439E+03 -0.74808E-01 -0.74780E-01 728 0.328E+00 0.224E+01
DAV: 6 -0.916441170178E+02 0.87121E+01 -0.31144E+01 682 0.298E+01 0.116E+01
DAV: 7 -0.907808211699E+02 0.86330E+00 -0.17885E+00 704 0.631E+00 0.483E+00
DAV: 8 -0.903710829776E+02 0.40974E+00 -0.56473E-01 712 0.425E+00 0.165E+00
DAV: 9 -0.902764738866E+02 0.94609E-01 -0.12477E-01 720 0.190E+00 0.480E-01
DAV: 10 -0.902669718836E+02 0.95020E-02 -0.30000E-02 717 0.883E-01 0.328E-01
DAV: 11 -0.902689023951E+02 -0.19305E-02 -0.11409E-02 680 0.631E-01 0.224E-01
DAV: 12 -0.902711101513E+02 -0.22078E-02 -0.28862E-03 768 0.513E-01 0.117E-01
DAV: 13 -0.902753045160E+02 -0.41944E-02 -0.26752E-03 617 0.293E-01 0.955E-02
DAV: 14 -0.902792690292E+02 -0.39645E-02 -0.12155E-03 642 0.182E-01 0.367E-02
DAV: 15 -0.902817566395E+02 -0.24876E-02 -0.35598E-04 664 0.895E-02 0.307E-02
DAV: 16 -0.902842033246E+02 -0.24467E-02 -0.37180E-04 700 0.119E-01 0.221E-02
DAV: 17 -0.902848791973E+02 -0.67587E-03 -0.68577E-05 672 0.485E-02 0.169E-02
DAV: 18 -0.902854290825E+02 -0.54989E-03 -0.16755E-04 716 0.830E-02 0.158E-02
DAV: 19 -0.902855691908E+02 -0.14011E-03 -0.26178E-05 544 0.396E-02 0.918E-03
DAV: 20 -0.902856768071E+02 -0.10762E-03 -0.28500E-05 577 0.261E-02 0.319E-03
DAV: 21 -0.902857377305E+02 -0.60923E-04 -0.56864E-06 453 0.131E-02 0.164E-03
DAV: 22 -0.902857622595E+02 -0.24529E-04 -0.39072E-06 444 0.682E-03 0.198E-03
DAV: 23 -0.902857649502E+02 -0.26907E-05 -0.63788E-07 536 0.445E-03
1 F= -.90285765E+02 E0= -.90294276E+02 d E =0.255317E-01