./iterations/neb0_image01_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 0.804192617951E+03 0.80419E+03 -0.25785E+04 896 0.101E+03
DAV: 2 0.107708579749E+03 -0.69648E+03 -0.68018E+03 1144 0.281E+02
DAV: 3 -0.599064472697E+02 -0.16762E+03 -0.16717E+03 830 0.154E+02
DAV: 4 -0.650098034553E+02 -0.51034E+01 -0.50848E+01 904 0.294E+01
DAV: 5 -0.650727175453E+02 -0.62914E-01 -0.62730E-01 844 0.328E+00 0.206E+01
DAV: 6 -0.599866424659E+02 0.50861E+01 -0.17624E+01 816 0.215E+01 0.110E+01
DAV: 7 -0.596955594644E+02 0.29108E+00 -0.10706E+00 904 0.572E+00 0.418E+00
DAV: 8 -0.596844668091E+02 0.11093E-01 -0.16171E-01 864 0.240E+00 0.131E+00
DAV: 9 -0.596924311328E+02 -0.79643E-02 -0.24098E-02 918 0.138E+00 0.352E-01
DAV: 10 -0.596939876504E+02 -0.15565E-02 -0.47741E-03 864 0.392E-01 0.196E-01
DAV: 11 -0.596956252984E+02 -0.16376E-02 -0.17682E-03 785 0.302E-01 0.732E-02
DAV: 12 -0.596969645890E+02 -0.13393E-02 -0.36487E-04 839 0.141E-01 0.275E-02
DAV: 13 -0.596981217560E+02 -0.11572E-02 -0.12934E-04 854 0.781E-02 0.223E-02
DAV: 14 -0.596988146384E+02 -0.69288E-03 -0.51370E-05 785 0.413E-02 0.963E-03
DAV: 15 -0.596993790776E+02 -0.56444E-03 -0.56536E-05 775 0.387E-02 0.688E-03
DAV: 16 -0.596995197378E+02 -0.14066E-03 -0.12826E-05 598 0.216E-02 0.398E-03
DAV: 17 -0.596996500955E+02 -0.13036E-03 -0.99589E-06 568 0.144E-02 0.359E-03
DAV: 18 -0.596997061166E+02 -0.56021E-04 -0.29800E-06 593 0.703E-03 0.150E-03
DAV: 19 -0.596997553301E+02 -0.49214E-04 -0.34972E-06 555 0.795E-03 0.134E-03
DAV: 20 -0.596997591326E+02 -0.38025E-05 -0.57337E-07 480 0.319E-03
1 F= -.59699759E+02 E0= -.59703625E+02 d E =0.115964E-01