iterations/neb0_image01_iter61_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 0.208813345264E+04 0.20881E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141262609685E+03 -0.22294E+04 -0.21420E+04 2144 0.261E+02
DAV: 3 -0.461736317487E+03 -0.32047E+03 -0.31684E+03 1896 0.107E+02
DAV: 4 -0.475290710281E+03 -0.13554E+02 -0.13325E+02 1944 0.227E+01
DAV: 5 -0.475830938762E+03 -0.54023E+00 -0.53988E+00 2128 0.394E+00 0.435E+01
DAV: 6 -0.458761417346E+03 0.17070E+02 -0.24077E+02 2048 0.318E+01 0.411E+01
DAV: 7 -0.451269881459E+03 0.74915E+01 -0.62976E+01 1796 0.140E+01 0.217E+01
DAV: 8 -0.445373182119E+03 0.58967E+01 -0.10535E+01 1864 0.773E+00 0.119E+01
DAV: 9 -0.444750329511E+03 0.62285E+00 -0.64973E+00 1976 0.454E+00 0.620E+00
DAV: 10 -0.444633843595E+03 0.11649E+00 -0.19350E+00 2096 0.294E+00 0.570E+00
DAV: 11 -0.444572163357E+03 0.61680E-01 -0.32606E+00 1904 0.200E+00 0.648E+00
DAV: 12 -0.444418452147E+03 0.15371E+00 -0.18654E+00 1952 0.141E+00 0.344E+00
DAV: 13 -0.444400064502E+03 0.18388E-01 -0.50271E-01 1952 0.731E-01 0.470E-01
DAV: 14 -0.444410130428E+03 -0.10066E-01 -0.22028E-02 1928 0.386E-01 0.292E-01
DAV: 15 -0.444415095166E+03 -0.49647E-02 -0.79499E-03 1840 0.181E-01 0.589E-01
DAV: 16 -0.444414951940E+03 0.14323E-03 -0.23698E-03 2200 0.149E-01 0.188E-01
DAV: 17 -0.444417422412E+03 -0.24705E-02 -0.12674E-03 2144 0.104E-01 0.109E-01
DAV: 18 -0.444419240651E+03 -0.18182E-02 -0.44812E-04 1872 0.509E-02 0.379E-02
DAV: 19 -0.444420831391E+03 -0.15907E-02 -0.17749E-04 1872 0.296E-02 0.421E-02
DAV: 20 -0.444422563822E+03 -0.17324E-02 -0.23963E-04 1848 0.386E-02 0.167E-02
DAV: 21 -0.444423333734E+03 -0.76991E-03 -0.15003E-04 1832 0.242E-02 0.210E-02
DAV: 22 -0.444423551360E+03 -0.21763E-03 -0.51093E-05 1808 0.244E-02 0.174E-02
DAV: 23 -0.444423827645E+03 -0.27628E-03 -0.54975E-05 1656 0.155E-02 0.122E-02
DAV: 24 -0.444423895383E+03 -0.67738E-04 -0.10118E-05 1360 0.704E-03 0.104E-02
DAV: 25 -0.444423940733E+03 -0.45350E-04 -0.72991E-06 1072 0.810E-03 0.397E-03
DAV: 26 -0.444423980005E+03 -0.39272E-04 -0.38957E-06 1160 0.457E-03 0.309E-03
DAV: 27 -0.444423997543E+03 -0.17539E-04 -0.11469E-06 976 0.242E-03 0.179E-03
DAV: 28 -0.444424007792E+03 -0.10248E-04 -0.75896E-07 1000 0.249E-03 0.118E-03
DAV: 29 -0.444424014637E+03 -0.68457E-05 -0.75317E-07 984 0.194E-03
1 F= -.44442401E+03 E0= -.44441717E+03 d E =-.205196E-01