./iterations/neb0_image09_iter46_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 0.797999838057E+03 0.79800E+03 -0.25964E+04 912 0.101E+03
DAV: 2 0.101987879070E+03 -0.69601E+03 -0.67853E+03 1088 0.282E+02
DAV: 3 -0.635566392569E+02 -0.16554E+03 -0.16521E+03 835 0.155E+02
DAV: 4 -0.681080345641E+02 -0.45514E+01 -0.45324E+01 896 0.291E+01
DAV: 5 -0.681625061822E+02 -0.54472E-01 -0.54320E-01 918 0.313E+00 0.198E+01
DAV: 6 -0.635831200217E+02 0.45794E+01 -0.18781E+01 862 0.217E+01 0.109E+01
DAV: 7 -0.634342253192E+02 0.14889E+00 -0.91170E-01 947 0.528E+00 0.398E+00
DAV: 8 -0.634330789796E+02 0.11463E-02 -0.90561E-02 872 0.201E+00 0.135E+00
DAV: 9 -0.634438508699E+02 -0.10772E-01 -0.17876E-02 918 0.909E-01 0.323E-01
DAV: 10 -0.634458804832E+02 -0.20296E-02 -0.45012E-03 923 0.491E-01 0.153E-01
DAV: 11 -0.634468109256E+02 -0.93044E-03 -0.56771E-04 854 0.176E-01 0.724E-02
DAV: 12 -0.634481170784E+02 -0.13062E-02 -0.31286E-04 849 0.129E-01 0.301E-02
DAV: 13 -0.634490378385E+02 -0.92076E-03 -0.14494E-04 814 0.940E-02 0.304E-02
DAV: 14 -0.634496816221E+02 -0.64378E-03 -0.93239E-05 801 0.610E-02 0.133E-02
DAV: 15 -0.634500189661E+02 -0.33734E-03 -0.32496E-05 750 0.357E-02 0.545E-03
DAV: 16 -0.634502136382E+02 -0.19467E-03 -0.11915E-05 609 0.182E-02 0.467E-03
DAV: 17 -0.634503363220E+02 -0.12268E-03 -0.76959E-06 630 0.133E-02 0.293E-03
DAV: 18 -0.634504104299E+02 -0.74108E-04 -0.43968E-06 617 0.911E-03 0.118E-03
DAV: 19 -0.634504459961E+02 -0.35566E-04 -0.22859E-06 609 0.651E-03 0.142E-03
DAV: 20 -0.634504523041E+02 -0.63080E-05 -0.53362E-07 480 0.381E-03
1 F= -.63450452E+02 E0= -.63454318E+02 d E =0.115964E-01