iterations/neb0_image01_iter30_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 0.208820273088E+04 0.20882E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141152229284E+03 -0.22294E+04 -0.21419E+04 2144 0.261E+02
DAV: 3 -0.461833064061E+03 -0.32068E+03 -0.31713E+03 1896 0.107E+02
DAV: 4 -0.475273540407E+03 -0.13440E+02 -0.13224E+02 1976 0.226E+01
DAV: 5 -0.475759950648E+03 -0.48641E+00 -0.48596E+00 2088 0.378E+00 0.435E+01
DAV: 6 -0.458981234089E+03 0.16779E+02 -0.24272E+02 2048 0.318E+01 0.411E+01
DAV: 7 -0.449838053204E+03 0.91432E+01 -0.41555E+01 1768 0.140E+01 0.198E+01
DAV: 8 -0.445365782513E+03 0.44723E+01 -0.81070E+00 1824 0.720E+00 0.113E+01
DAV: 9 -0.446552218352E+03 -0.11864E+01 -0.24901E+01 2120 0.788E+00 0.995E+00
DAV: 10 -0.446019576103E+03 0.53264E+00 -0.14218E+00 1824 0.221E+00 0.895E+00
DAV: 11 -0.444834076737E+03 0.11855E+01 -0.19464E+00 1976 0.246E+00 0.558E+00
DAV: 12 -0.445056423454E+03 -0.22235E+00 -0.76304E+00 2056 0.271E+00 0.140E+01
DAV: 13 -0.444423778715E+03 0.63264E+00 -0.58070E+00 1952 0.247E+00 0.374E+00
DAV: 14 -0.444479110773E+03 -0.55332E-01 -0.14400E-01 1872 0.769E-01 0.324E+00
DAV: 15 -0.444387103388E+03 0.92007E-01 -0.16969E-02 2128 0.424E-01 0.138E+00
DAV: 16 -0.444393299694E+03 -0.61963E-02 -0.90295E-03 1928 0.329E-01 0.102E+00
DAV: 17 -0.444400708780E+03 -0.74091E-02 -0.15739E-01 2072 0.380E-01 0.678E-01
DAV: 18 -0.444406715433E+03 -0.60067E-02 -0.41530E-03 1896 0.163E-01 0.267E-01
DAV: 19 -0.444407115263E+03 -0.39983E-03 -0.15546E-03 1888 0.895E-02 0.144E-01
DAV: 20 -0.444408106935E+03 -0.99167E-03 -0.61075E-04 1928 0.613E-02 0.521E-02
DAV: 21 -0.444409124344E+03 -0.10174E-02 -0.18893E-04 1888 0.363E-02 0.329E-02
DAV: 22 -0.444410319430E+03 -0.11951E-02 -0.18959E-04 1928 0.390E-02 0.135E-01
DAV: 23 -0.444410385371E+03 -0.65941E-04 -0.13402E-04 1960 0.353E-02 0.275E-02
DAV: 24 -0.444410707763E+03 -0.32239E-03 -0.39757E-05 1680 0.172E-02 0.239E-02
DAV: 25 -0.444411158537E+03 -0.45077E-03 -0.91984E-05 1808 0.203E-02 0.287E-02
DAV: 26 -0.444411234776E+03 -0.76239E-04 -0.16149E-05 1472 0.134E-02 0.941E-03
DAV: 27 -0.444411287210E+03 -0.52434E-04 -0.17787E-05 1464 0.872E-03 0.681E-03
DAV: 28 -0.444411305468E+03 -0.18258E-04 -0.28112E-06 960 0.436E-03 0.469E-03
DAV: 29 -0.444411334980E+03 -0.29512E-04 -0.62803E-06 1128 0.686E-03 0.139E-02
DAV: 30 -0.444411339547E+03 -0.45664E-05 -0.20899E-06 936 0.370E-03
1 F= -.44441134E+03 E0= -.44440447E+03 d E =-.205984E-01