./iterations/neb0_image06_iter72_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 0.790209374552E+03 0.79021E+03 -0.25934E+04 912 0.101E+03
DAV: 2 0.101788693449E+03 -0.68842E+03 -0.67114E+03 1088 0.280E+02
DAV: 3 -0.618480059055E+02 -0.16364E+03 -0.16309E+03 851 0.155E+02
DAV: 4 -0.663902350303E+02 -0.45422E+01 -0.45120E+01 816 0.291E+01
DAV: 5 -0.664826080344E+02 -0.92373E-01 -0.92223E-01 878 0.364E+00 0.201E+01
DAV: 6 -0.623559024890E+02 0.41267E+01 -0.56445E+01 795 0.308E+01 0.217E+01
DAV: 7 -0.617133105965E+02 0.64259E+00 -0.81710E+01 888 0.130E+01 0.104E+01
DAV: 8 -0.605687248887E+02 0.11446E+01 -0.10701E+00 929 0.811E+00 0.651E+00
DAV: 9 -0.600749600575E+02 0.49376E+00 -0.64743E+00 896 0.838E+00 0.150E+01
DAV: 10 -0.596187930715E+02 0.45617E+00 -0.48727E+00 883 0.266E+00 0.369E+00
DAV: 11 -0.596865582419E+02 -0.67765E-01 -0.36577E-01 878 0.166E+00 0.453E+00
DAV: 12 -0.599078966966E+02 -0.22134E+00 -0.19138E+00 987 0.249E+00 0.430E+00
DAV: 13 -0.598054188774E+02 0.10248E+00 -0.17739E-01 864 0.129E+00 0.394E+00
DAV: 14 -0.596949950345E+02 0.11042E+00 -0.41970E-02 1008 0.885E-01 0.393E+00
DAV: 15 -0.596584395983E+02 0.36555E-01 -0.11111E-02 896 0.420E-01 0.296E+00
DAV: 16 -0.596459319356E+02 0.12508E-01 -0.58611E-02 854 0.491E-01 0.106E+00
DAV: 17 -0.596635184749E+02 -0.17587E-01 -0.49206E-03 775 0.318E-01 0.409E-01
DAV: 18 -0.596661658113E+02 -0.26473E-02 -0.20646E-03 923 0.120E-01 0.677E-01
DAV: 19 -0.596709652116E+02 -0.47994E-02 -0.32272E-03 918 0.190E-01 0.120E+00
DAV: 20 -0.596762181499E+02 -0.52529E-02 -0.51285E-02 979 0.302E-01 0.232E+00
DAV: 21 -0.596721837415E+02 0.40344E-02 -0.11141E-03 816 0.230E-01 0.230E+00
DAV: 22 -0.596610659142E+02 0.11118E-01 -0.28146E-02 1016 0.260E-01 0.336E-01
DAV: 23 -0.596725835326E+02 -0.11518E-01 -0.47983E-04 775 0.169E-01 0.197E-01
DAV: 24 -0.596732572321E+02 -0.67370E-03 -0.64334E-04 854 0.806E-02 0.178E-01
DAV: 25 -0.596733967551E+02 -0.13952E-03 -0.23030E-04 704 0.483E-02 0.586E-02
DAV: 26 -0.596736309395E+02 -0.23418E-03 -0.35730E-05 688 0.244E-02 0.665E-02
DAV: 27 -0.596736970499E+02 -0.66110E-04 -0.16584E-04 648 0.175E-02 0.139E-01
DAV: 28 -0.596736540750E+02 0.42975E-04 -0.40851E-05 582 0.201E-02 0.451E-02
DAV: 29 -0.596737060804E+02 -0.52005E-04 -0.18632E-06 593 0.730E-03 0.477E-02
DAV: 30 -0.596737159777E+02 -0.98972E-05 -0.76963E-06 576 0.433E-03
1 F= -.59673716E+02 E0= -.59660297E+02 d E =-.402583E-01