./iterations/neb0_image04_iter42_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 0.789659735314E+03 0.78966E+03 -0.25883E+04 912 0.101E+03
DAV: 2 0.102493576846E+03 -0.68717E+03 -0.66866E+03 1104 0.279E+02
DAV: 3 -0.599019219884E+02 -0.16240E+03 -0.16159E+03 854 0.154E+02
DAV: 4 -0.647318024483E+02 -0.48299E+01 -0.48119E+01 840 0.286E+01
DAV: 5 -0.648125013061E+02 -0.80699E-01 -0.80494E-01 889 0.344E+00 0.203E+01
DAV: 6 -0.655988686877E+02 -0.78637E+00 -0.13598E+02 849 0.395E+01 0.204E+01
DAV: 7 -0.592251918695E+02 0.63737E+01 -0.13772E+01 971 0.149E+01 0.113E+01
DAV: 8 -0.607036472947E+02 -0.14785E+01 -0.37569E+01 920 0.175E+01 0.123E+01
DAV: 9 -0.588198095627E+02 0.18838E+01 -0.78184E+00 1080 0.106E+01 0.685E+00
DAV: 10 -0.600184770319E+02 -0.11987E+01 -0.20129E+01 816 0.543E+00 0.112E+01
DAV: 11 -0.586854578792E+02 0.13330E+01 -0.28311E+00 1040 0.693E+00 0.263E+00
DAV: 12 -0.588324340612E+02 -0.14698E+00 -0.15341E+00 904 0.210E+00 0.540E+00
DAV: 13 -0.587773720427E+02 0.55062E-01 -0.17057E+00 875 0.244E+00 0.379E+00
DAV: 14 -0.587587457123E+02 0.18626E-01 -0.35471E-01 811 0.122E+00 0.748E-01
DAV: 15 -0.587781206145E+02 -0.19375E-01 -0.31047E-02 888 0.487E-01 0.933E-01
DAV: 16 -0.587763040703E+02 0.18165E-02 -0.50385E-02 947 0.651E-01 0.795E-01
DAV: 17 -0.587919866701E+02 -0.15683E-01 -0.18184E-01 928 0.467E-01 0.260E+00
DAV: 18 -0.587675983181E+02 0.24388E-01 -0.46367E-02 844 0.277E-01 0.999E-01
DAV: 19 -0.587758376831E+02 -0.82394E-02 -0.17344E-02 907 0.232E-01 0.331E-01
DAV: 20 -0.587876956522E+02 -0.11858E-01 -0.46276E-02 1112 0.319E-01 0.164E+00
DAV: 21 -0.587838633760E+02 0.38323E-02 -0.17967E-03 848 0.205E-01 0.166E+00
DAV: 22 -0.587759646212E+02 0.78988E-02 -0.20882E-02 920 0.152E-01 0.627E-01
DAV: 23 -0.587816037773E+02 -0.56392E-02 -0.70668E-03 923 0.138E-01 0.206E-01
DAV: 24 -0.587852481743E+02 -0.36444E-02 -0.52766E-04 808 0.110E-01 0.174E-01
DAV: 25 -0.587857717070E+02 -0.52353E-03 -0.38011E-04 761 0.414E-02 0.187E-02
DAV: 26 -0.587860130514E+02 -0.24134E-03 -0.92896E-05 630 0.201E-02 0.754E-02
DAV: 27 -0.587860873487E+02 -0.74297E-04 -0.20005E-05 599 0.143E-02 0.540E-02
DAV: 28 -0.587861266187E+02 -0.39270E-04 -0.22982E-04 632 0.176E-02 0.648E-02
DAV: 29 -0.587861450115E+02 -0.18393E-04 -0.40257E-05 502 0.145E-02 0.164E-02
DAV: 30 -0.587861560401E+02 -0.11029E-04 -0.90138E-06 550 0.509E-03 0.629E-03
DAV: 31 -0.587861635668E+02 -0.75267E-05 -0.34004E-07 456 0.351E-03
1 F= -.58786164E+02 E0= -.58803207E+02 d E =0.511299E-01