./iterations/neb0_image03_iter72_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 0.367862186994E+03 0.36786E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.304963303483E+01 -0.36481E+03 -0.35217E+03 853 0.195E+02
DAV: 3 -0.955862338580E+02 -0.98636E+02 -0.98317E+02 664 0.116E+02
DAV: 4 -0.100132153168E+03 -0.45459E+01 -0.45365E+01 720 0.287E+01
DAV: 5 -0.100220448664E+03 -0.88295E-01 -0.88259E-01 736 0.360E+00 0.223E+01
DAV: 6 -0.916064424717E+02 0.86140E+01 -0.30723E+01 696 0.297E+01 0.116E+01
DAV: 7 -0.907595977229E+02 0.84684E+00 -0.18549E+00 704 0.640E+00 0.482E+00
DAV: 8 -0.903567773680E+02 0.40282E+00 -0.56298E-01 688 0.431E+00 0.167E+00
DAV: 9 -0.902606288404E+02 0.96149E-01 -0.14140E-01 704 0.174E+00 0.440E-01
DAV: 10 -0.902526582820E+02 0.79706E-02 -0.47657E-02 709 0.121E+00 0.334E-01
DAV: 11 -0.902559750141E+02 -0.33167E-02 -0.67661E-03 613 0.525E-01 0.124E-01
DAV: 12 -0.902590850249E+02 -0.31100E-02 -0.64158E-03 612 0.372E-01 0.132E-01
DAV: 13 -0.902627259333E+02 -0.36409E-02 -0.22812E-03 856 0.403E-01 0.860E-02
DAV: 14 -0.902659461191E+02 -0.32202E-02 -0.11982E-03 620 0.165E-01 0.688E-02
DAV: 15 -0.902680914107E+02 -0.21453E-02 -0.41716E-04 680 0.121E-01 0.334E-02
DAV: 16 -0.902701796692E+02 -0.20883E-02 -0.60926E-04 663 0.143E-01 0.349E-02
DAV: 17 -0.902708631959E+02 -0.68353E-03 -0.10921E-04 693 0.653E-02 0.241E-02
DAV: 18 -0.902712399420E+02 -0.37675E-03 -0.13366E-04 645 0.681E-02 0.941E-03
DAV: 19 -0.902713414089E+02 -0.10147E-03 -0.10502E-05 485 0.232E-02 0.737E-03
DAV: 20 -0.902714247530E+02 -0.83344E-04 -0.21396E-05 559 0.277E-02 0.538E-03
DAV: 21 -0.902714710119E+02 -0.46259E-04 -0.54700E-06 450 0.159E-02 0.247E-03
DAV: 22 -0.902714897126E+02 -0.18701E-04 -0.49926E-06 453 0.111E-02 0.188E-03
DAV: 23 -0.902714923906E+02 -0.26780E-05 -0.74185E-07 520 0.442E-03
1 F= -.90271492E+02 E0= -.90279514E+02 d E =0.240647E-01