iterations/neb0_image01_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 0.365895373106E+03 0.36590E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.324962502489E+01 -0.36265E+03 -0.34965E+03 839 0.196E+02
DAV: 3 -0.954893366535E+02 -0.98739E+02 -0.98395E+02 653 0.116E+02
DAV: 4 -0.100235947835E+03 -0.47466E+01 -0.47350E+01 696 0.292E+01
DAV: 5 -0.100331110721E+03 -0.95163E-01 -0.95111E-01 728 0.371E+00 0.223E+01
DAV: 6 -0.916968807887E+02 0.86342E+01 -0.30894E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908857306010E+02 0.81115E+00 -0.18270E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905091310853E+02 0.37660E+00 -0.55557E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904271302150E+02 0.82001E-01 -0.13292E-01 720 0.166E+00 0.423E-01
DAV: 10 -0.904225926420E+02 0.45376E-02 -0.46802E-02 720 0.124E+00 0.321E-01
DAV: 11 -0.904266247816E+02 -0.40321E-02 -0.75346E-03 608 0.546E-01 0.124E-01
DAV: 12 -0.904300829639E+02 -0.34582E-02 -0.65933E-03 637 0.456E-01 0.131E-01
DAV: 13 -0.904324952745E+02 -0.24123E-02 -0.15986E-03 861 0.309E-01 0.742E-02
DAV: 14 -0.904356371428E+02 -0.31419E-02 -0.14241E-03 634 0.189E-01 0.655E-02
DAV: 15 -0.904373274666E+02 -0.16903E-02 -0.31576E-04 680 0.111E-01 0.528E-02
DAV: 16 -0.904387081797E+02 -0.13807E-02 -0.99660E-04 669 0.194E-01 0.366E-02
DAV: 17 -0.904395124756E+02 -0.80430E-03 -0.13444E-04 661 0.784E-02 0.324E-02
DAV: 18 -0.904398257342E+02 -0.31326E-03 -0.90240E-05 672 0.487E-02 0.159E-02
DAV: 19 -0.904399969742E+02 -0.17124E-03 -0.72290E-05 639 0.459E-02 0.859E-03
DAV: 20 -0.904400276711E+02 -0.30697E-04 -0.59679E-06 512 0.176E-02 0.924E-03
DAV: 21 -0.904400655292E+02 -0.37858E-04 -0.69246E-06 395 0.147E-02 0.647E-03
DAV: 22 -0.904400748783E+02 -0.93491E-05 -0.52309E-06 480 0.162E-02
1 F= -.90440075E+02 E0= -.90445474E+02 d E =0.161974E-01