./iterations/neb0_image05_iter78_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 0.786781321579E+03 0.78678E+03 -0.25949E+04 912 0.101E+03
DAV: 2 0.992151328560E+02 -0.68757E+03 -0.67192E+03 1088 0.281E+02
DAV: 3 -0.619773988551E+02 -0.16119E+03 -0.16057E+03 841 0.154E+02
DAV: 4 -0.663579541068E+02 -0.43806E+01 -0.43671E+01 816 0.285E+01
DAV: 5 -0.664436206371E+02 -0.85667E-01 -0.85507E-01 891 0.350E+00 0.207E+01
DAV: 6 -0.645663113480E+02 0.18773E+01 -0.94575E+01 812 0.315E+01 0.200E+01
DAV: 7 -0.612099783406E+02 0.33563E+01 -0.36962E+01 835 0.120E+01 0.107E+01
DAV: 8 -0.594264657673E+02 0.17835E+01 -0.14283E+00 809 0.540E+00 0.423E+00
DAV: 9 -0.597450651927E+02 -0.31860E+00 -0.84310E-01 816 0.264E+00 0.657E+00
DAV: 10 -0.597395913682E+02 0.54738E-02 -0.57246E+00 960 0.240E+00 0.126E+01
DAV: 11 -0.597480034272E+02 -0.84121E-02 -0.74222E+00 931 0.191E+00 0.804E+00
DAV: 12 -0.594998168037E+02 0.24819E+00 -0.77711E-01 844 0.106E+00 0.658E+00
DAV: 13 -0.594073082827E+02 0.92509E-01 -0.20032E-01 912 0.633E-01 0.408E+00
DAV: 14 -0.594473049334E+02 -0.39997E-01 -0.15977E-01 848 0.589E-01 0.448E+00
DAV: 15 -0.594461041458E+02 0.12008E-02 -0.35651E-03 869 0.372E-01 0.439E+00
DAV: 16 -0.594155508266E+02 0.30553E-01 -0.22138E-02 894 0.284E-01 0.440E-01
DAV: 17 -0.594373013819E+02 -0.21751E-01 -0.31331E-03 867 0.224E-01 0.147E+00
DAV: 18 -0.594363148552E+02 0.98653E-03 -0.61828E-03 881 0.114E-01 0.458E-01
DAV: 19 -0.594423507770E+02 -0.60359E-02 -0.18961E-03 883 0.122E-01 0.123E+00
DAV: 20 -0.594397424509E+02 0.26083E-02 -0.17306E-03 899 0.753E-02 0.356E-01
DAV: 21 -0.594418112049E+02 -0.20688E-02 -0.10148E-03 891 0.615E-02 0.389E-01
DAV: 22 -0.594426204325E+02 -0.80923E-03 -0.84206E-04 867 0.606E-02 0.293E-01
DAV: 23 -0.594427306036E+02 -0.11017E-03 -0.36712E-05 686 0.364E-02 0.255E-01
DAV: 24 -0.594427678531E+02 -0.37249E-04 -0.24109E-04 635 0.178E-02 0.121E-01
DAV: 25 -0.594430505649E+02 -0.28271E-03 -0.29416E-05 660 0.282E-02 0.324E-02
DAV: 26 -0.594431058647E+02 -0.55300E-04 -0.31467E-06 611 0.668E-03 0.333E-02
DAV: 27 -0.594431182361E+02 -0.12371E-04 -0.67289E-07 579 0.312E-03 0.339E-02
DAV: 28 -0.594431301620E+02 -0.11926E-04 -0.20310E-06 588 0.320E-03 0.371E-03
DAV: 29 -0.594431405843E+02 -0.10422E-04 -0.46950E-07 528 0.350E-03 0.349E-03
DAV: 30 -0.594431437055E+02 -0.31213E-05 -0.28321E-07 529 0.202E-03
1 F= -.59443144E+02 E0= -.59408452E+02 d E =-.104075E+00