iterations/neb0_image09_iter44_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 0.209815919131E+04 0.20982E+04 -0.11613E+05 1704 0.105E+03
DAV: 2 -0.142880479994E+03 -0.22410E+04 -0.21511E+04 2160 0.262E+02
DAV: 3 -0.466269906517E+03 -0.32339E+03 -0.32005E+03 1816 0.108E+02
DAV: 4 -0.479270015356E+03 -0.13000E+02 -0.12945E+02 1984 0.229E+01
DAV: 5 -0.479739774028E+03 -0.46976E+00 -0.46951E+00 2128 0.382E+00 0.428E+01
DAV: 6 -0.447149839695E+03 0.32590E+02 -0.14302E+02 2008 0.309E+01 0.271E+01
DAV: 7 -0.449024258143E+03 -0.18744E+01 -0.74240E+01 1928 0.111E+01 0.137E+01
DAV: 8 -0.446274769754E+03 0.27495E+01 -0.80838E+00 2472 0.801E+00 0.884E+00
DAV: 9 -0.446848643626E+03 -0.57387E+00 -0.16388E+01 1928 0.404E+00 0.500E+00
DAV: 10 -0.445963792301E+03 0.88485E+00 -0.69532E-01 2128 0.393E+00 0.292E+00
DAV: 11 -0.446062519546E+03 -0.98727E-01 -0.19709E+00 1912 0.158E+00 0.385E+00
DAV: 12 -0.445995848334E+03 0.66671E-01 -0.20637E+00 2000 0.121E+00 0.329E+00
DAV: 13 -0.446032098941E+03 -0.36251E-01 -0.18077E+00 2192 0.976E-01 0.369E+00
DAV: 14 -0.445933569048E+03 0.98530E-01 -0.35319E-01 2032 0.682E-01 0.349E-01
DAV: 15 -0.445942419672E+03 -0.88506E-02 -0.22163E-02 2000 0.281E-01 0.389E-01
DAV: 16 -0.445943306541E+03 -0.88687E-03 -0.38841E-03 1848 0.140E-01 0.125E-01
DAV: 17 -0.445945415564E+03 -0.21090E-02 -0.16893E-03 1944 0.933E-02 0.230E-01
DAV: 18 -0.445947997813E+03 -0.25822E-02 -0.41652E-03 2008 0.794E-02 0.333E-01
DAV: 19 -0.445950521654E+03 -0.25238E-02 -0.53931E-03 2176 0.125E-01 0.333E-01
DAV: 20 -0.445951700267E+03 -0.11786E-02 -0.12813E-03 1848 0.615E-02 0.458E-02
DAV: 21 -0.445952853698E+03 -0.11534E-02 -0.42621E-04 1808 0.435E-02 0.811E-02
DAV: 22 -0.445953357597E+03 -0.50390E-03 -0.42852E-04 1944 0.402E-02 0.903E-02
DAV: 23 -0.445953557025E+03 -0.19943E-03 -0.69942E-05 1712 0.189E-02 0.414E-02
DAV: 24 -0.445953707472E+03 -0.15045E-03 -0.63782E-05 1664 0.188E-02 0.151E-02
DAV: 25 -0.445953848810E+03 -0.14134E-03 -0.19887E-05 1240 0.955E-03 0.239E-02
DAV: 26 -0.445953953677E+03 -0.10487E-03 -0.11133E-05 1184 0.701E-03 0.101E-02
DAV: 27 -0.445953975118E+03 -0.21442E-04 -0.39492E-06 944 0.410E-03 0.865E-03
DAV: 28 -0.445954005051E+03 -0.29933E-04 -0.34554E-06 1008 0.555E-03 0.494E-03
DAV: 29 -0.445954023696E+03 -0.18645E-04 -0.21574E-06 984 0.301E-03 0.708E-03
DAV: 30 -0.445954028494E+03 -0.47984E-05 -0.78742E-07 936 0.289E-03
1 F= -.44595403E+03 E0= -.44592789E+03 d E =-.784278E-01