iterations/neb0_image01_iter37_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 0.208843538484E+04 0.20884E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141222779756E+03 -0.22297E+04 -0.21422E+04 2144 0.261E+02
DAV: 3 -0.461802200288E+03 -0.32058E+03 -0.31705E+03 1888 0.107E+02
DAV: 4 -0.475254206232E+03 -0.13452E+02 -0.13241E+02 1968 0.227E+01
DAV: 5 -0.475763881701E+03 -0.50968E+00 -0.50872E+00 2088 0.381E+00 0.435E+01
DAV: 6 -0.459055462993E+03 0.16708E+02 -0.24305E+02 2056 0.321E+01 0.411E+01
DAV: 7 -0.448408994560E+03 0.10646E+02 -0.42143E+01 1760 0.140E+01 0.185E+01
DAV: 8 -0.445912539086E+03 0.24965E+01 -0.70073E+00 1764 0.638E+00 0.115E+01
DAV: 9 -0.446001171570E+03 -0.88632E-01 -0.16928E+01 2056 0.773E+00 0.914E+00
DAV: 10 -0.445628783523E+03 0.37239E+00 -0.14507E+00 1880 0.221E+00 0.803E+00
DAV: 11 -0.444733717507E+03 0.89507E+00 -0.94255E-01 2040 0.201E+00 0.514E+00
DAV: 12 -0.444679075216E+03 0.54642E-01 -0.48161E+00 2064 0.221E+00 0.109E+01
DAV: 13 -0.444473199374E+03 0.20588E+00 -0.76535E+00 1928 0.185E+00 0.369E+00
DAV: 14 -0.444456151277E+03 0.17048E-01 -0.75052E-02 1840 0.599E-01 0.294E+00
DAV: 15 -0.444383546687E+03 0.72605E-01 -0.18880E-01 1928 0.526E-01 0.517E-01
DAV: 16 -0.444405846311E+03 -0.22300E-01 -0.10510E-02 1864 0.268E-01 0.361E-01
DAV: 17 -0.444411009608E+03 -0.51633E-02 -0.91255E-03 1952 0.232E-01 0.423E-01
DAV: 18 -0.444418313653E+03 -0.73040E-02 -0.29053E-03 1960 0.137E-01 0.857E-01
DAV: 19 -0.444411790012E+03 0.65236E-02 -0.12663E-03 1976 0.106E-01 0.346E-01
DAV: 20 -0.444414749922E+03 -0.29599E-02 -0.34114E-04 1920 0.455E-02 0.378E-01
DAV: 21 -0.444415140236E+03 -0.39031E-03 -0.60448E-04 2016 0.729E-02 0.888E-02
DAV: 22 -0.444416378870E+03 -0.12386E-02 -0.15164E-04 1848 0.272E-02 0.599E-02
DAV: 23 -0.444417014733E+03 -0.63586E-03 -0.10213E-04 1856 0.294E-02 0.435E-02
DAV: 24 -0.444417473782E+03 -0.45905E-03 -0.59233E-05 1888 0.247E-02 0.422E-02
DAV: 25 -0.444418106642E+03 -0.63286E-03 -0.88319E-05 1680 0.218E-02 0.222E-02
DAV: 26 -0.444418262168E+03 -0.15553E-03 -0.35391E-05 1528 0.119E-02 0.299E-02
DAV: 27 -0.444418295171E+03 -0.33004E-04 -0.38544E-06 1048 0.542E-03 0.180E-02
DAV: 28 -0.444418336162E+03 -0.40990E-04 -0.72917E-06 1256 0.700E-03 0.380E-03
DAV: 29 -0.444418351516E+03 -0.15355E-04 -0.19301E-06 936 0.369E-03 0.417E-03
DAV: 30 -0.444418368638E+03 -0.17122E-04 -0.25301E-06 1048 0.456E-03 0.241E-03
DAV: 31 -0.444418375114E+03 -0.64756E-05 -0.88073E-07 936 0.228E-03
1 F= -.44441838E+03 E0= -.44441131E+03 d E =-.212073E-01