./iterations/neb0_image04_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 0.790388147358E+03 0.79039E+03 -0.25896E+04 912 0.101E+03
DAV: 2 0.102604377067E+03 -0.68778E+03 -0.66924E+03 1104 0.279E+02
DAV: 3 -0.600366373292E+02 -0.16264E+03 -0.16181E+03 849 0.154E+02
DAV: 4 -0.648434102339E+02 -0.48068E+01 -0.47893E+01 840 0.287E+01
DAV: 5 -0.649229639787E+02 -0.79554E-01 -0.79360E-01 902 0.343E+00 0.204E+01
DAV: 6 -0.656001616686E+02 -0.67720E+00 -0.13463E+02 854 0.392E+01 0.205E+01
DAV: 7 -0.591835879078E+02 0.64166E+01 -0.14186E+01 976 0.147E+01 0.111E+01
DAV: 8 -0.606613938336E+02 -0.14778E+01 -0.35935E+01 912 0.173E+01 0.121E+01
DAV: 9 -0.588722252184E+02 0.17892E+01 -0.83690E+00 1096 0.107E+01 0.771E+00
DAV: 10 -0.602846844782E+02 -0.14125E+01 -0.25582E+01 840 0.630E+00 0.113E+01
DAV: 11 -0.588935686088E+02 0.13911E+01 -0.12770E+00 1016 0.669E+00 0.789E+00
DAV: 12 -0.587353387458E+02 0.15823E+00 -0.25897E+00 928 0.271E+00 0.331E+00
DAV: 13 -0.588167656216E+02 -0.81427E-01 -0.12292E-01 844 0.272E+00 0.345E+00
DAV: 14 -0.589330451384E+02 -0.11628E+00 -0.26511E+00 849 0.225E+00 0.748E+00
DAV: 15 -0.587530139158E+02 0.18003E+00 -0.35381E-01 819 0.100E+00 0.353E+00
DAV: 16 -0.587953854374E+02 -0.42372E-01 -0.11874E-02 888 0.327E-01 0.424E+00
DAV: 17 -0.587695322754E+02 0.25853E-01 -0.34364E-02 859 0.723E-01 0.309E+00
DAV: 18 -0.587740655902E+02 -0.45333E-02 -0.29480E-02 920 0.264E-01 0.185E+00
DAV: 19 -0.587867596390E+02 -0.12694E-01 -0.52386E-02 924 0.248E-01 0.589E-01
DAV: 20 -0.588045103528E+02 -0.17751E-01 -0.15948E-02 780 0.430E-01 0.797E-01
DAV: 21 -0.588061844913E+02 -0.16741E-02 -0.15843E-02 800 0.249E-01 0.332E-01
DAV: 22 -0.588101904819E+02 -0.40060E-02 -0.18565E-02 883 0.219E-01 0.880E-01
DAV: 23 -0.588086641832E+02 0.15263E-02 -0.24840E-02 904 0.195E-01 0.420E-01
DAV: 24 -0.588111885055E+02 -0.25243E-02 -0.93161E-03 875 0.143E-01 0.414E-01
DAV: 25 -0.588104787386E+02 0.70977E-03 -0.24736E-03 896 0.655E-02 0.138E-01
DAV: 26 -0.588115130157E+02 -0.10343E-02 -0.17097E-03 955 0.927E-02 0.267E-01
DAV: 27 -0.588115431216E+02 -0.30106E-04 -0.22730E-04 865 0.639E-02 0.176E-01
DAV: 28 -0.588116352466E+02 -0.92125E-04 -0.12651E-03 676 0.371E-02 0.114E-01
DAV: 29 -0.588118404629E+02 -0.20522E-03 -0.12508E-04 744 0.340E-02 0.246E-02
DAV: 30 -0.588118697318E+02 -0.29269E-04 -0.35525E-06 585 0.831E-03 0.165E-02
DAV: 31 -0.588118850255E+02 -0.15294E-04 -0.11139E-06 550 0.445E-03 0.159E-02
DAV: 32 -0.588118914789E+02 -0.64534E-05 -0.96262E-06 501 0.401E-03
1 F= -.58811891E+02 E0= -.58827026E+02 d E =0.454040E-01