iterations/neb0_image09_iter12_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209699705918E+04 0.20970E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.142253406519E+03 -0.22393E+04 -0.21498E+04 2152 0.262E+02
DAV: 3 -0.466132382337E+03 -0.32388E+03 -0.32048E+03 1832 0.108E+02
DAV: 4 -0.478998178178E+03 -0.12866E+02 -0.12816E+02 1984 0.228E+01
DAV: 5 -0.479447319432E+03 -0.44914E+00 -0.44892E+00 2144 0.375E+00 0.427E+01
DAV: 6 -0.447324495655E+03 0.32123E+02 -0.14329E+02 2008 0.309E+01 0.270E+01
DAV: 7 -0.448631777995E+03 -0.13073E+01 -0.66119E+01 1904 0.111E+01 0.136E+01
DAV: 8 -0.446570362118E+03 0.20614E+01 -0.78442E+00 2496 0.803E+00 0.997E+00
DAV: 9 -0.446834159835E+03 -0.26380E+00 -0.20836E+01 2088 0.457E+00 0.556E+00
DAV: 10 -0.445879730496E+03 0.95443E+00 -0.93808E-01 2264 0.425E+00 0.293E+00
DAV: 11 -0.445908703277E+03 -0.28973E-01 -0.14731E+00 1896 0.163E+00 0.286E+00
DAV: 12 -0.445893767771E+03 0.14936E-01 -0.12565E+00 1976 0.977E-01 0.274E+00
DAV: 13 -0.445936634066E+03 -0.42866E-01 -0.14387E+00 2264 0.856E-01 0.359E+00
DAV: 14 -0.445849543868E+03 0.87090E-01 -0.35403E-01 2024 0.646E-01 0.427E-01
DAV: 15 -0.445864483548E+03 -0.14940E-01 -0.46849E-02 1976 0.373E-01 0.112E+00
DAV: 16 -0.445859273692E+03 0.52099E-02 -0.11321E-02 1808 0.192E-01 0.379E-01
DAV: 17 -0.445860881133E+03 -0.16074E-02 -0.21750E-03 1952 0.975E-02 0.220E-01
DAV: 18 -0.445863782560E+03 -0.29014E-02 -0.20868E-03 2000 0.799E-02 0.220E-01
DAV: 19 -0.445865504191E+03 -0.17216E-02 -0.62873E-04 1880 0.754E-02 0.909E-02
DAV: 20 -0.445867464723E+03 -0.19605E-02 -0.82061E-04 2096 0.713E-02 0.392E-02
DAV: 21 -0.445868631531E+03 -0.11668E-02 -0.24274E-04 1888 0.370E-02 0.829E-02
DAV: 22 -0.445869328194E+03 -0.69666E-03 -0.19865E-04 1992 0.306E-02 0.162E-02
DAV: 23 -0.445869656292E+03 -0.32810E-03 -0.52412E-05 1696 0.172E-02 0.386E-02
DAV: 24 -0.445869810004E+03 -0.15371E-03 -0.40608E-05 1640 0.167E-02 0.249E-02
DAV: 25 -0.445869884327E+03 -0.74322E-04 -0.15742E-05 1096 0.971E-03 0.110E-02
DAV: 26 -0.445869980642E+03 -0.96316E-04 -0.18944E-05 1328 0.120E-02 0.540E-03
DAV: 27 -0.445870016121E+03 -0.35478E-04 -0.36509E-06 1032 0.555E-03 0.789E-03
DAV: 28 -0.445870033705E+03 -0.17584E-04 -0.39882E-06 936 0.515E-03 0.313E-03
DAV: 29 -0.445870050980E+03 -0.17275E-04 -0.12408E-06 1000 0.266E-03 0.200E-03
DAV: 30 -0.445870060092E+03 -0.91122E-05 -0.83451E-07 936 0.248E-03
1 F= -.44587006E+03 E0= -.44584511E+03 d E =-.748443E-01