./iterations/neb0_image03_iter1_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 0.808343040874E+03 0.80834E+03 -0.25818E+04 896 0.101E+03
DAV: 2 0.111167545846E+03 -0.69718E+03 -0.68082E+03 1120 0.282E+02
DAV: 3 -0.572540687759E+02 -0.16842E+03 -0.16786E+03 872 0.156E+02
DAV: 4 -0.621591319451E+02 -0.49051E+01 -0.48861E+01 864 0.298E+01
DAV: 5 -0.622169956173E+02 -0.57864E-01 -0.57784E-01 824 0.322E+00 0.223E+01
DAV: 6 -0.597556015323E+02 0.24614E+01 -0.50157E+01 780 0.229E+01 0.191E+01
DAV: 7 -0.586165339255E+02 0.11391E+01 -0.75675E+01 901 0.188E+01 0.115E+01
DAV: 8 -0.578668654092E+02 0.74967E+00 -0.91061E-01 795 0.527E+00 0.747E+00
DAV: 9 -0.569861777733E+02 0.88069E+00 -0.36317E+00 807 0.787E+00 0.357E+00
DAV: 10 -0.568613856326E+02 0.12479E+00 -0.14755E-01 795 0.216E+00 0.323E+00
DAV: 11 -0.569525468678E+02 -0.91161E-01 -0.16199E+00 844 0.158E+00 0.929E+00
DAV: 12 -0.569577966791E+02 -0.52498E-02 -0.49786E+00 893 0.365E+00 0.350E+00
DAV: 13 -0.569183950879E+02 0.39402E-01 -0.49503E-02 760 0.138E+00 0.367E+00
DAV: 14 -0.568408323485E+02 0.77563E-01 -0.71287E-02 859 0.116E+00 0.147E+00
DAV: 15 -0.568678463804E+02 -0.27014E-01 -0.60169E-03 770 0.549E-01 0.133E+00
DAV: 16 -0.568614465318E+02 0.63998E-02 -0.65483E-03 918 0.266E-01 0.379E-01
DAV: 17 -0.568697324216E+02 -0.82859E-02 -0.61821E-04 839 0.176E-01 0.259E-01
DAV: 18 -0.568722574578E+02 -0.25250E-02 -0.33247E-03 844 0.199E-01 0.941E-01
DAV: 19 -0.568687002659E+02 0.35572E-02 -0.40494E-03 854 0.190E-01 0.385E-01
DAV: 20 -0.568715264634E+02 -0.28262E-02 -0.53438E-04 836 0.102E-01 0.648E-02
DAV: 21 -0.568719588441E+02 -0.43238E-03 -0.32583E-05 780 0.315E-02 0.828E-02
DAV: 22 -0.568721337185E+02 -0.17487E-03 -0.10613E-04 711 0.375E-02 0.122E-01
DAV: 23 -0.568721436471E+02 -0.99287E-05 -0.44651E-05 603 0.269E-02
1 F= -.56872144E+02 E0= -.56855581E+02 d E =-.496891E-01