./iterations/neb0_image03_iter65_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 0.793735926991E+03 0.79374E+03 -0.25909E+04 912 0.101E+03
DAV: 2 0.101424297214E+03 -0.69231E+03 -0.67297E+03 1120 0.280E+02
DAV: 3 -0.595069533849E+02 -0.16093E+03 -0.16048E+03 832 0.154E+02
DAV: 4 -0.639618356505E+02 -0.44549E+01 -0.44156E+01 808 0.287E+01
DAV: 5 -0.640678881458E+02 -0.10605E+00 -0.10589E+00 839 0.383E+00 0.203E+01
DAV: 6 -0.619190879264E+02 0.21488E+01 -0.50378E+01 864 0.258E+01 0.177E+01
DAV: 7 -0.605717973780E+02 0.13473E+01 -0.60956E+01 987 0.225E+01 0.112E+01
DAV: 8 -0.598281800420E+02 0.74362E+00 -0.11265E+00 864 0.612E+00 0.697E+00
DAV: 9 -0.592414550266E+02 0.58673E+00 -0.94242E-01 848 0.769E+00 0.467E+00
DAV: 10 -0.591030012127E+02 0.13845E+00 -0.21006E+00 848 0.395E+00 0.507E+00
DAV: 11 -0.592346240124E+02 -0.13162E+00 -0.40024E+00 992 0.364E+00 0.366E+00
DAV: 12 -0.590939566348E+02 0.14067E+00 -0.27609E-01 979 0.173E+00 0.196E+00
DAV: 13 -0.591512881956E+02 -0.57332E-01 -0.10364E+00 928 0.173E+00 0.590E+00
DAV: 14 -0.590576390267E+02 0.93649E-01 -0.12474E+00 967 0.150E+00 0.188E+00
DAV: 15 -0.591029044221E+02 -0.45265E-01 -0.72547E-02 777 0.536E-01 0.133E-01
DAV: 16 -0.591059812013E+02 -0.30768E-02 -0.32321E-03 880 0.142E-01 0.277E-01
DAV: 17 -0.591069135977E+02 -0.93240E-03 -0.27560E-03 942 0.136E-01 0.106E-01
DAV: 18 -0.591078756307E+02 -0.96203E-03 -0.11833E-04 875 0.622E-02 0.884E-02
DAV: 19 -0.591083653460E+02 -0.48972E-03 -0.25559E-04 709 0.373E-02 0.195E-01
DAV: 20 -0.591082251419E+02 0.14020E-03 -0.30606E-04 619 0.331E-02 0.694E-02
DAV: 21 -0.591084892128E+02 -0.26407E-03 -0.25200E-05 586 0.189E-02 0.401E-02
DAV: 22 -0.591085801553E+02 -0.90943E-04 -0.29368E-05 588 0.126E-02 0.588E-03
DAV: 23 -0.591086250306E+02 -0.44875E-04 -0.82710E-06 556 0.971E-03 0.160E-02
DAV: 24 -0.591086340255E+02 -0.89950E-05 -0.20646E-06 465 0.487E-03
1 F= -.59108634E+02 E0= -.59111273E+02 d E =0.791549E-02