./iterations/neb0_image08_iter21_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 0.210075185516E+04 0.21008E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.139918090319E+03 -0.22407E+04 -0.21511E+04 2152 0.262E+02
DAV: 3 -0.466105150454E+03 -0.32619E+03 -0.32288E+03 1856 0.108E+02
DAV: 4 -0.478565819207E+03 -0.12461E+02 -0.12411E+02 1952 0.225E+01
DAV: 5 -0.479034353395E+03 -0.46853E+00 -0.46831E+00 2160 0.382E+00 0.427E+01
DAV: 6 -0.447693076825E+03 0.31341E+02 -0.14479E+02 2016 0.311E+01 0.270E+01
DAV: 7 -0.447676896204E+03 0.16181E-01 -0.38639E+01 1888 0.114E+01 0.134E+01
DAV: 8 -0.447113720156E+03 0.56318E+00 -0.77297E+00 2528 0.819E+00 0.990E+00
DAV: 9 -0.445821559779E+03 0.12922E+01 -0.79015E+00 2056 0.454E+00 0.580E+00
DAV: 10 -0.446393021368E+03 -0.57146E+00 -0.65620E+00 2168 0.447E+00 0.648E+00
DAV: 11 -0.445625632239E+03 0.76739E+00 -0.61524E-01 1936 0.215E+00 0.346E+00
DAV: 12 -0.445629715097E+03 -0.40829E-02 -0.17525E+00 2000 0.161E+00 0.388E+00
DAV: 13 -0.445584892877E+03 0.44822E-01 -0.11816E+00 1960 0.993E-01 0.186E+00
DAV: 14 -0.445582306869E+03 0.25860E-02 -0.23811E-01 1856 0.509E-01 0.146E+00
DAV: 15 -0.445612507174E+03 -0.30200E-01 -0.46698E-02 2000 0.409E-01 0.258E+00
DAV: 16 -0.445579800469E+03 0.32707E-01 -0.32895E-02 1936 0.253E-01 0.135E+00
DAV: 17 -0.445577534479E+03 0.22660E-02 -0.67590E-02 2232 0.285E-01 0.411E-01
DAV: 18 -0.445582479276E+03 -0.49448E-02 -0.30120E-03 1800 0.144E-01 0.112E-01
DAV: 19 -0.445583743059E+03 -0.12638E-02 -0.13599E-03 1824 0.791E-02 0.646E-02
DAV: 20 -0.445585470615E+03 -0.17276E-02 -0.18164E-03 2136 0.705E-02 0.289E-01
DAV: 21 -0.445587027690E+03 -0.15571E-02 -0.46136E-03 2360 0.124E-01 0.207E-01
DAV: 22 -0.445588355265E+03 -0.13276E-02 -0.69733E-04 1808 0.614E-02 0.121E-01
DAV: 23 -0.445589078420E+03 -0.72315E-03 -0.13177E-03 2000 0.551E-02 0.135E-01
DAV: 24 -0.445589368747E+03 -0.29033E-03 -0.24853E-04 1808 0.276E-02 0.491E-02
DAV: 25 -0.445589559503E+03 -0.19076E-03 -0.31974E-05 1584 0.149E-02 0.532E-02
DAV: 26 -0.445589640870E+03 -0.81367E-04 -0.53005E-05 1624 0.158E-02 0.178E-02
DAV: 27 -0.445589692631E+03 -0.51761E-04 -0.20016E-05 1024 0.806E-03 0.177E-02
DAV: 28 -0.445589743703E+03 -0.51072E-04 -0.43767E-06 1096 0.487E-03 0.157E-02
DAV: 29 -0.445589757950E+03 -0.14248E-04 -0.32233E-06 936 0.398E-03 0.471E-03
DAV: 30 -0.445589779101E+03 -0.21151E-04 -0.19393E-06 1024 0.294E-03 0.170E-03
DAV: 31 -0.445589785168E+03 -0.60664E-05 -0.36356E-07 936 0.118E-03
1 F= -.44558979E+03 E0= -.44556539E+03 d E =-.731785E-01