./iterations/neb0_image04_iter53_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 0.208881869318E+04 0.20888E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.141569038008E+03 -0.22304E+04 -0.21424E+04 2136 0.261E+02
DAV: 3 -0.465698635629E+03 -0.32413E+03 -0.32058E+03 1864 0.107E+02
DAV: 4 -0.478156693650E+03 -0.12458E+02 -0.12407E+02 1936 0.224E+01
DAV: 5 -0.478632796015E+03 -0.47610E+00 -0.47583E+00 2152 0.381E+00 0.430E+01
DAV: 6 -0.447989447484E+03 0.30643E+02 -0.14687E+02 2040 0.319E+01 0.381E+01
DAV: 7 -0.454194823482E+03 -0.62054E+01 -0.26977E+02 1912 0.142E+01 0.208E+01
DAV: 8 -0.448174731827E+03 0.60201E+01 -0.88819E+00 1784 0.791E+00 0.129E+01
DAV: 9 -0.446486405765E+03 0.16883E+01 -0.25700E+01 2016 0.123E+01 0.966E+00
DAV: 10 -0.445724004532E+03 0.76240E+00 -0.47364E+00 1880 0.382E+00 0.104E+01
DAV: 11 -0.444953318822E+03 0.77069E+00 -0.84990E-01 1984 0.193E+00 0.720E+00
DAV: 12 -0.444863200128E+03 0.90119E-01 -0.77621E+00 2192 0.349E+00 0.707E+00
DAV: 13 -0.444710226910E+03 0.15297E+00 -0.94825E-01 2128 0.325E+00 0.721E+00
DAV: 14 -0.444253370500E+03 0.45686E+00 -0.12143E+00 1880 0.145E+00 0.271E+00
DAV: 15 -0.444266757468E+03 -0.13387E-01 -0.29070E-01 1840 0.632E-01 0.970E-01
DAV: 16 -0.444504593513E+03 -0.23784E+00 -0.13686E+00 2288 0.943E-01 0.698E+00
DAV: 17 -0.444245227209E+03 0.25937E+00 -0.29739E-01 1984 0.891E-01 0.300E+00
DAV: 18 -0.444275555520E+03 -0.30328E-01 -0.44995E-01 2072 0.863E-01 0.193E+00
DAV: 19 -0.444286893765E+03 -0.11338E-01 -0.31934E-02 1912 0.550E-01 0.111E+00
DAV: 20 -0.444285946766E+03 0.94700E-03 -0.24498E-02 1968 0.357E-01 0.695E-01
DAV: 21 -0.444289244557E+03 -0.32978E-02 -0.32772E-03 1824 0.140E-01 0.730E-01
DAV: 22 -0.444288914418E+03 0.33014E-03 -0.36493E-03 1888 0.151E-01 0.648E-01
DAV: 23 -0.444290030361E+03 -0.11159E-02 -0.42094E-03 2024 0.144E-01 0.412E-01
DAV: 24 -0.444292779501E+03 -0.27491E-02 -0.86216E-03 2056 0.158E-01 0.319E-01
DAV: 25 -0.444294218795E+03 -0.14393E-02 -0.12564E-03 1856 0.806E-02 0.201E-01
DAV: 26 -0.444295153798E+03 -0.93500E-03 -0.30151E-04 1848 0.306E-02 0.166E-01
DAV: 27 -0.444295508931E+03 -0.35513E-03 -0.36740E-04 2200 0.464E-02 0.704E-02
DAV: 28 -0.444296078426E+03 -0.56950E-03 -0.14590E-04 1688 0.242E-02 0.351E-02
DAV: 29 -0.444296275129E+03 -0.19670E-03 -0.54018E-05 1432 0.141E-02 0.197E-02
DAV: 30 -0.444296439406E+03 -0.16428E-03 -0.34126E-05 1488 0.154E-02 0.115E-02
DAV: 31 -0.444296498503E+03 -0.59097E-04 -0.18756E-05 1248 0.104E-02 0.226E-02
DAV: 32 -0.444296515057E+03 -0.16554E-04 -0.88854E-06 952 0.666E-03 0.954E-03
DAV: 33 -0.444296531578E+03 -0.16521E-04 -0.55504E-06 1016 0.500E-03 0.818E-03
DAV: 34 -0.444296542038E+03 -0.10460E-04 -0.12899E-06 944 0.290E-03 0.435E-03
DAV: 35 -0.444296552319E+03 -0.10281E-04 -0.83814E-07 944 0.283E-03 0.450E-03
DAV: 36 -0.444296557439E+03 -0.51198E-05 -0.59291E-07 952 0.195E-03
1 F= -.44429656E+03 E0= -.44428031E+03 d E =-.487389E-01