./iterations/neb0_image01_iter63_OSZICAR.out output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.804203053752E+03 0.80420E+03 -0.25783E+04 896 0.101E+03
DAV: 2 0.107889570759E+03 -0.69631E+03 -0.67995E+03 1144 0.281E+02
DAV: 3 -0.599113355258E+02 -0.16780E+03 -0.16737E+03 830 0.154E+02
DAV: 4 -0.650044785736E+02 -0.50931E+01 -0.50735E+01 904 0.294E+01
DAV: 5 -0.650672046407E+02 -0.62726E-01 -0.62542E-01 844 0.328E+00 0.206E+01
DAV: 6 -0.599775268702E+02 0.50897E+01 -0.17650E+01 824 0.213E+01 0.110E+01
DAV: 7 -0.596908078904E+02 0.28672E+00 -0.10390E+00 920 0.561E+00 0.417E+00
DAV: 8 -0.596797382571E+02 0.11070E-01 -0.15776E-01 864 0.239E+00 0.131E+00
DAV: 9 -0.596878597990E+02 -0.81215E-02 -0.23191E-02 918 0.135E+00 0.346E-01
DAV: 10 -0.596894705539E+02 -0.16108E-02 -0.45913E-03 864 0.387E-01 0.194E-01
DAV: 11 -0.596911270490E+02 -0.16565E-02 -0.16431E-03 785 0.294E-01 0.713E-02
DAV: 12 -0.596924722409E+02 -0.13452E-02 -0.34010E-04 839 0.135E-01 0.271E-02
DAV: 13 -0.596936690105E+02 -0.11968E-02 -0.12849E-04 849 0.768E-02 0.231E-02
DAV: 14 -0.596943602624E+02 -0.69125E-03 -0.52671E-05 790 0.421E-02 0.977E-03
DAV: 15 -0.596949137777E+02 -0.55352E-03 -0.53458E-05 770 0.373E-02 0.683E-03
DAV: 16 -0.596950627819E+02 -0.14900E-03 -0.13522E-05 638 0.211E-02 0.408E-03
DAV: 17 -0.596951862161E+02 -0.12343E-03 -0.83424E-06 578 0.133E-02 0.323E-03
DAV: 18 -0.596952517195E+02 -0.65503E-04 -0.32834E-06 578 0.721E-03 0.121E-03
DAV: 19 -0.596952957366E+02 -0.44017E-04 -0.29595E-06 555 0.656E-03 0.115E-03
DAV: 20 -0.596953027049E+02 -0.69682E-05 -0.53835E-07 480 0.297E-03
1 F= -.59695303E+02 E0= -.59699168E+02 d E =0.115964E-01