./iterations/neb0_image04_iter84_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 0.794408666615E+03 0.79441E+03 -0.25891E+04 904 0.101E+03
DAV: 2 0.102193788983E+03 -0.69221E+03 -0.67313E+03 1088 0.281E+02
DAV: 3 -0.611123439005E+02 -0.16331E+03 -0.16261E+03 810 0.155E+02
DAV: 4 -0.658968673576E+02 -0.47845E+01 -0.47705E+01 848 0.291E+01
DAV: 5 -0.659746865425E+02 -0.77819E-01 -0.77705E-01 928 0.350E+00 0.206E+01
DAV: 6 -0.652963221127E+02 0.67836E+00 -0.12149E+02 870 0.368E+01 0.213E+01
DAV: 7 -0.594511723051E+02 0.58451E+01 -0.21526E+01 947 0.139E+01 0.102E+01
DAV: 8 -0.605402247238E+02 -0.10891E+01 -0.28595E+01 840 0.834E+00 0.137E+01
DAV: 9 -0.589302771277E+02 0.16099E+01 -0.32215E+00 864 0.350E+00 0.818E+00
DAV: 10 -0.601437921789E+02 -0.12135E+01 -0.20367E+01 864 0.775E+00 0.951E+00
DAV: 11 -0.593328144620E+02 0.81098E+00 -0.46593E-01 923 0.449E+00 0.812E+00
DAV: 12 -0.592647948519E+02 0.68020E-01 -0.93716E+00 864 0.452E+00 0.963E+00
DAV: 13 -0.589054463345E+02 0.35935E+00 -0.24821E+00 859 0.200E+00 0.396E+00
DAV: 14 -0.589122998690E+02 -0.68535E-02 -0.62016E-02 981 0.118E+00 0.172E+00
DAV: 15 -0.590231259924E+02 -0.11083E+00 -0.48967E-01 854 0.115E+00 0.683E+00
DAV: 16 -0.589168766829E+02 0.10625E+00 -0.67503E-02 829 0.541E-01 0.461E+00
DAV: 17 -0.588919663063E+02 0.24910E-01 -0.10964E-01 864 0.362E-01 0.108E+00
DAV: 18 -0.589175065150E+02 -0.25540E-01 -0.80194E-03 819 0.295E-01 0.449E-01
DAV: 19 -0.589261073542E+02 -0.86008E-02 -0.16202E-03 899 0.146E-01 0.244E-01
DAV: 20 -0.589302702593E+02 -0.41629E-02 -0.15887E-03 883 0.271E-01 0.163E-01
DAV: 21 -0.589327163127E+02 -0.24461E-02 -0.87341E-03 883 0.132E-01 0.795E-01
DAV: 22 -0.589311773524E+02 0.15390E-02 -0.19273E-03 832 0.997E-02 0.329E-01
DAV: 23 -0.589321060193E+02 -0.92867E-03 -0.11638E-03 864 0.845E-02 0.480E-02
DAV: 24 -0.589331263694E+02 -0.10204E-02 -0.42449E-04 768 0.456E-02 0.242E-01
DAV: 25 -0.589330504164E+02 0.75953E-04 -0.73362E-04 648 0.327E-02 0.666E-02
DAV: 26 -0.589333305602E+02 -0.28014E-03 -0.44145E-05 696 0.278E-02 0.127E-01
DAV: 27 -0.589333393751E+02 -0.88148E-05 -0.19732E-04 598 0.182E-02 0.285E-02
DAV: 28 -0.589334262104E+02 -0.86835E-04 -0.66106E-06 595 0.139E-02 0.138E-02
DAV: 29 -0.589334386380E+02 -0.12428E-04 -0.15792E-06 491 0.524E-03 0.686E-03
DAV: 30 -0.589334534744E+02 -0.14836E-04 -0.24613E-06 580 0.554E-03 0.409E-03
DAV: 31 -0.589334566730E+02 -0.31985E-05 -0.46802E-07 480 0.281E-03
1 F= -.58933457E+02 E0= -.58915987E+02 d E =-.524079E-01