iterations/neb0_image01_iter73_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 0.208840213528E+04 0.20884E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141251099532E+03 -0.22297E+04 -0.21422E+04 2144 0.261E+02
DAV: 3 -0.461710526168E+03 -0.32046E+03 -0.31690E+03 1888 0.107E+02
DAV: 4 -0.475263785328E+03 -0.13553E+02 -0.13340E+02 1960 0.227E+01
DAV: 5 -0.475787913948E+03 -0.52413E+00 -0.52365E+00 2112 0.390E+00 0.435E+01
DAV: 6 -0.459126551694E+03 0.16661E+02 -0.24334E+02 2056 0.321E+01 0.412E+01
DAV: 7 -0.449838677590E+03 0.92879E+01 -0.43158E+01 1768 0.140E+01 0.198E+01
DAV: 8 -0.445380533268E+03 0.44581E+01 -0.81929E+00 1808 0.696E+00 0.111E+01
DAV: 9 -0.446372318382E+03 -0.99179E+00 -0.21393E+01 2088 0.754E+00 0.970E+00
DAV: 10 -0.445860346383E+03 0.51197E+00 -0.13914E+00 1840 0.214E+00 0.834E+00
DAV: 11 -0.445068685042E+03 0.79166E+00 -0.68463E-01 1984 0.188E+00 0.590E+00
DAV: 12 -0.444945569627E+03 0.12312E+00 -0.37341E+00 2096 0.298E+00 0.141E+01
DAV: 13 -0.444461650537E+03 0.48392E+00 -0.11066E+01 1984 0.223E+00 0.344E+00
DAV: 14 -0.444515968096E+03 -0.54318E-01 -0.13428E-01 1936 0.878E-01 0.305E+00
DAV: 15 -0.444440850128E+03 0.75118E-01 -0.18595E-02 1992 0.420E-01 0.235E+00
DAV: 16 -0.444404075990E+03 0.36774E-01 -0.98173E-03 2120 0.353E-01 0.704E-01
DAV: 17 -0.444422073907E+03 -0.17998E-01 -0.73765E-03 1888 0.283E-01 0.111E+00
DAV: 18 -0.444417791576E+03 0.42823E-02 -0.21906E-01 1936 0.384E-01 0.743E-01
DAV: 19 -0.444423630360E+03 -0.58388E-02 -0.43419E-03 1888 0.145E-01 0.471E-01
DAV: 20 -0.444422011673E+03 0.16187E-02 -0.77662E-04 2032 0.685E-02 0.200E-01
DAV: 21 -0.444423860644E+03 -0.18490E-02 -0.63010E-04 2288 0.882E-02 0.126E-01
DAV: 22 -0.444424629078E+03 -0.76843E-03 -0.30852E-04 1840 0.399E-02 0.103E-01
DAV: 23 -0.444425383857E+03 -0.75478E-03 -0.99749E-05 1944 0.282E-02 0.150E-01
DAV: 24 -0.444425384128E+03 -0.27092E-06 -0.14637E-04 2040 0.358E-02 0.337E-02
DAV: 25 -0.444425838110E+03 -0.45398E-03 -0.47582E-05 1656 0.177E-02 0.157E-02
DAV: 26 -0.444426129300E+03 -0.29119E-03 -0.55539E-05 1824 0.179E-02 0.897E-03
DAV: 27 -0.444426257148E+03 -0.12785E-03 -0.15792E-05 1376 0.148E-02 0.181E-02
DAV: 28 -0.444426331796E+03 -0.74648E-04 -0.17590E-05 1312 0.838E-03 0.540E-03
DAV: 29 -0.444426350707E+03 -0.18911E-04 -0.29725E-06 1032 0.420E-03 0.520E-03
DAV: 30 -0.444426369511E+03 -0.18804E-04 -0.23895E-06 976 0.451E-03 0.612E-03
DAV: 31 -0.444426379992E+03 -0.10481E-04 -0.12351E-06 976 0.295E-03 0.282E-03
DAV: 32 -0.444426384257E+03 -0.42652E-05 -0.52793E-07 928 0.186E-03
1 F= -.44442638E+03 E0= -.44441935E+03 d E =-.210925E-01