iterations/neb0_image01_iter256_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 0.362878252760E+03 0.36288E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.315722903774E+01 -0.35972E+03 -0.34605E+03 831 0.195E+02
DAV: 3 -0.955859768081E+02 -0.98743E+02 -0.98393E+02 664 0.116E+02
DAV: 4 -0.100248037384E+03 -0.46621E+01 -0.46496E+01 696 0.291E+01
DAV: 5 -0.100339248937E+03 -0.91212E-01 -0.91174E-01 736 0.367E+00 0.222E+01
DAV: 6 -0.917046669743E+02 0.86346E+01 -0.30921E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908932271676E+02 0.81144E+00 -0.18341E+00 712 0.639E+00 0.485E+00
DAV: 8 -0.905140670269E+02 0.37916E+00 -0.55705E-01 696 0.431E+00 0.168E+00
DAV: 9 -0.904304678870E+02 0.83599E-01 -0.13485E-01 728 0.164E+00 0.425E-01
DAV: 10 -0.904256589666E+02 0.48089E-02 -0.46048E-02 728 0.124E+00 0.318E-01
DAV: 11 -0.904295636945E+02 -0.39047E-02 -0.66022E-03 608 0.502E-01 0.134E-01
DAV: 12 -0.904331867192E+02 -0.36230E-02 -0.70427E-03 640 0.487E-01 0.132E-01
DAV: 13 -0.904357252880E+02 -0.25386E-02 -0.16180E-03 882 0.313E-01 0.738E-02
DAV: 14 -0.904387661080E+02 -0.30408E-02 -0.12932E-03 642 0.172E-01 0.594E-02
DAV: 15 -0.904407073202E+02 -0.19412E-02 -0.37430E-04 680 0.111E-01 0.484E-02
DAV: 16 -0.904421420863E+02 -0.14348E-02 -0.81606E-04 666 0.172E-01 0.331E-02
DAV: 17 -0.904428773181E+02 -0.73523E-03 -0.11963E-04 672 0.755E-02 0.276E-02
DAV: 18 -0.904431723993E+02 -0.29508E-03 -0.11703E-04 661 0.564E-02 0.944E-03
DAV: 19 -0.904433156861E+02 -0.14329E-03 -0.33573E-05 517 0.304E-02 0.736E-03
DAV: 20 -0.904433458946E+02 -0.30208E-04 -0.47588E-06 488 0.147E-02 0.804E-03
DAV: 21 -0.904433766765E+02 -0.30782E-04 -0.64416E-06 425 0.174E-02 0.393E-03
DAV: 22 -0.904433821647E+02 -0.54881E-05 -0.52116E-06 488 0.127E-02
1 F= -.90443382E+02 E0= -.90449090E+02 d E =0.171244E-01