./iterations/neb0_image09_iter70_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 0.798206709251E+03 0.79821E+03 -0.25968E+04 912 0.101E+03
DAV: 2 0.102107259430E+03 -0.69610E+03 -0.67884E+03 1096 0.282E+02
DAV: 3 -0.635573210081E+02 -0.16566E+03 -0.16534E+03 835 0.155E+02
DAV: 4 -0.681338087838E+02 -0.45765E+01 -0.45619E+01 904 0.291E+01
DAV: 5 -0.681858786705E+02 -0.52070E-01 -0.51939E-01 923 0.309E+00 0.198E+01
DAV: 6 -0.636166756176E+02 0.45692E+01 -0.18788E+01 846 0.217E+01 0.109E+01
DAV: 7 -0.634704519612E+02 0.14622E+00 -0.91436E-01 944 0.526E+00 0.398E+00
DAV: 8 -0.634695784080E+02 0.87355E-03 -0.87882E-02 875 0.194E+00 0.136E+00
DAV: 9 -0.634803448942E+02 -0.10766E-01 -0.17462E-02 923 0.893E-01 0.319E-01
DAV: 10 -0.634825099835E+02 -0.21651E-02 -0.45893E-03 918 0.490E-01 0.150E-01
DAV: 11 -0.634834297245E+02 -0.91974E-03 -0.57492E-04 864 0.174E-01 0.732E-02
DAV: 12 -0.634848033798E+02 -0.13737E-02 -0.33150E-04 844 0.126E-01 0.318E-02
DAV: 13 -0.634857103503E+02 -0.90697E-03 -0.13115E-04 827 0.821E-02 0.303E-02
DAV: 14 -0.634863655037E+02 -0.65515E-03 -0.96174E-05 794 0.585E-02 0.134E-02
DAV: 15 -0.634866569194E+02 -0.29142E-03 -0.27074E-05 763 0.333E-02 0.543E-03
DAV: 16 -0.634868443644E+02 -0.18744E-03 -0.11883E-05 620 0.184E-02 0.433E-03
DAV: 17 -0.634869625186E+02 -0.11815E-03 -0.65106E-06 622 0.118E-02 0.256E-03
DAV: 18 -0.634870277653E+02 -0.65247E-04 -0.34612E-06 638 0.705E-03 0.110E-03
DAV: 19 -0.634870622062E+02 -0.34441E-04 -0.19277E-06 614 0.609E-03 0.114E-03
DAV: 20 -0.634870677783E+02 -0.55721E-05 -0.41644E-07 475 0.301E-03
1 F= -.63487068E+02 E0= -.63490933E+02 d E =0.115964E-01