./iterations/neb0_image08_iter5_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 0.366943259883E+03 0.36694E+03 -0.14238E+04 624 0.799E+02
DAV: 2 0.204797172362E+01 -0.36490E+03 -0.35257E+03 882 0.194E+02
DAV: 3 -0.956092068901E+02 -0.97657E+02 -0.97295E+02 680 0.115E+02
DAV: 4 -0.100083402575E+03 -0.44742E+01 -0.44592E+01 712 0.277E+01
DAV: 5 -0.100177448239E+03 -0.94046E-01 -0.93996E-01 728 0.357E+00 0.220E+01
DAV: 6 -0.916956642533E+02 0.84818E+01 -0.30816E+01 696 0.303E+01 0.115E+01
DAV: 7 -0.908919696675E+02 0.80369E+00 -0.16404E+00 720 0.655E+00 0.482E+00
DAV: 8 -0.905144629320E+02 0.37751E+00 -0.63825E-01 704 0.434E+00 0.166E+00
DAV: 9 -0.904284179575E+02 0.86045E-01 -0.14077E-01 712 0.180E+00 0.473E-01
DAV: 10 -0.904188759238E+02 0.95420E-02 -0.20693E-02 792 0.688E-01 0.280E-01
DAV: 11 -0.904210286833E+02 -0.21528E-02 -0.14302E-02 608 0.685E-01 0.185E-01
DAV: 12 -0.904229188175E+02 -0.18901E-02 -0.47463E-03 696 0.451E-01 0.105E-01
DAV: 13 -0.904273307062E+02 -0.44119E-02 -0.40516E-03 622 0.336E-01 0.108E-01
DAV: 14 -0.904296993259E+02 -0.23686E-02 -0.13272E-03 685 0.203E-01 0.449E-02
DAV: 15 -0.904327111333E+02 -0.30118E-02 -0.10704E-03 733 0.195E-01 0.520E-02
DAV: 16 -0.904342261581E+02 -0.15150E-02 -0.30304E-04 808 0.114E-01 0.244E-02
DAV: 17 -0.904349260078E+02 -0.69985E-03 -0.16015E-04 672 0.721E-02 0.136E-02
DAV: 18 -0.904354754810E+02 -0.54947E-03 -0.57349E-05 624 0.382E-02 0.139E-02
DAV: 19 -0.904357410439E+02 -0.26556E-03 -0.39110E-05 626 0.399E-02 0.502E-03
DAV: 20 -0.904358276202E+02 -0.86576E-04 -0.13913E-05 480 0.223E-02 0.331E-03
DAV: 21 -0.904358607203E+02 -0.33100E-04 -0.47972E-06 445 0.951E-03 0.269E-03
DAV: 22 -0.904358724861E+02 -0.11766E-04 -0.20291E-06 480 0.827E-03 0.102E-03
DAV: 23 -0.904358793635E+02 -0.68774E-05 -0.13793E-06 428 0.505E-03
1 F= -.90435879E+02 E0= -.90440221E+02 d E =0.130251E-01