./iterations/neb0_image04_iter199_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 0.365373290952E+03 0.36537E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.183215118421E+01 -0.36354E+03 -0.35085E+03 861 0.194E+02
DAV: 3 -0.959363167910E+02 -0.97768E+02 -0.97463E+02 661 0.116E+02
DAV: 4 -0.100264216466E+03 -0.43279E+01 -0.43191E+01 725 0.281E+01
DAV: 5 -0.100347594841E+03 -0.83378E-01 -0.83350E-01 728 0.351E+00 0.223E+01
DAV: 6 -0.916587510418E+02 0.86888E+01 -0.31117E+01 693 0.298E+01 0.116E+01
DAV: 7 -0.908003791541E+02 0.85837E+00 -0.17832E+00 704 0.641E+00 0.483E+00
DAV: 8 -0.903875308805E+02 0.41285E+00 -0.56049E-01 704 0.441E+00 0.170E+00
DAV: 9 -0.902952815256E+02 0.92249E-01 -0.13463E-01 720 0.196E+00 0.517E-01
DAV: 10 -0.902832794345E+02 0.12002E-01 -0.35861E-02 712 0.971E-01 0.346E-01
DAV: 11 -0.902854459115E+02 -0.21665E-02 -0.10173E-02 696 0.627E-01 0.253E-01
DAV: 12 -0.902872066622E+02 -0.17608E-02 -0.34533E-03 776 0.551E-01 0.128E-01
DAV: 13 -0.902909138737E+02 -0.37072E-02 -0.27780E-03 615 0.324E-01 0.956E-02
DAV: 14 -0.902948672324E+02 -0.39534E-02 -0.13913E-03 634 0.199E-01 0.473E-02
DAV: 15 -0.902974690554E+02 -0.26018E-02 -0.53030E-04 664 0.112E-01 0.405E-02
DAV: 16 -0.902997183916E+02 -0.22493E-02 -0.41252E-04 797 0.143E-01 0.245E-02
DAV: 17 -0.903008106940E+02 -0.10923E-02 -0.14815E-04 672 0.566E-02 0.255E-02
DAV: 18 -0.903013159160E+02 -0.50522E-03 -0.10462E-04 722 0.634E-02 0.125E-02
DAV: 19 -0.903015573062E+02 -0.24139E-03 -0.39766E-05 669 0.381E-02 0.811E-03
DAV: 20 -0.903016707726E+02 -0.11347E-03 -0.12515E-05 458 0.200E-02 0.516E-03
DAV: 21 -0.903017477742E+02 -0.77002E-04 -0.14127E-05 428 0.180E-02 0.309E-03
DAV: 22 -0.903017746886E+02 -0.26914E-04 -0.38649E-06 480 0.104E-02 0.161E-03
DAV: 23 -0.903017806584E+02 -0.59698E-05 -0.21593E-06 466 0.837E-03
1 F= -.90301781E+02 E0= -.90310144E+02 d E =0.250905E-01