iterations/neb0_image04_iter57_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 0.209115214709E+04 0.20912E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.140860413543E+03 -0.22320E+04 -0.21442E+04 2136 0.262E+02
DAV: 3 -0.465481158986E+03 -0.32462E+03 -0.32090E+03 1864 0.107E+02
DAV: 4 -0.477961911921E+03 -0.12481E+02 -0.12429E+02 1936 0.225E+01
DAV: 5 -0.478437430152E+03 -0.47552E+00 -0.47525E+00 2144 0.380E+00 0.430E+01
DAV: 6 -0.448301926253E+03 0.30136E+02 -0.14775E+02 2024 0.319E+01 0.384E+01
DAV: 7 -0.454075017875E+03 -0.57731E+01 -0.24780E+02 1888 0.145E+01 0.209E+01
DAV: 8 -0.448005676112E+03 0.60693E+01 -0.92360E+00 1760 0.806E+00 0.130E+01
DAV: 9 -0.446680847156E+03 0.13248E+01 -0.27141E+01 2064 0.123E+01 0.958E+00
DAV: 10 -0.445861325107E+03 0.81952E+00 -0.46270E+00 1872 0.379E+00 0.102E+01
DAV: 11 -0.445111776555E+03 0.74955E+00 -0.80690E-01 1960 0.197E+00 0.715E+00
DAV: 12 -0.444889456462E+03 0.22232E+00 -0.78545E+00 2192 0.395E+00 0.759E+00
DAV: 13 -0.444656368606E+03 0.23309E+00 -0.10316E+00 2072 0.332E+00 0.624E+00
DAV: 14 -0.444273737905E+03 0.38263E+00 -0.58640E-01 1880 0.126E+00 0.236E+00
DAV: 15 -0.444447781107E+03 -0.17404E+00 -0.17831E+00 2000 0.130E+00 0.692E+00
DAV: 16 -0.444367156170E+03 0.80625E-01 -0.19682E-01 1792 0.609E-01 0.622E+00
DAV: 17 -0.444276131196E+03 0.91025E-01 -0.10127E-01 2104 0.469E-01 0.442E+00
DAV: 18 -0.444228152426E+03 0.47979E-01 -0.39669E-01 2016 0.652E-01 0.570E-01
DAV: 19 -0.444285477496E+03 -0.57325E-01 -0.20702E-02 1888 0.385E-01 0.329E-01
DAV: 20 -0.444291757186E+03 -0.62797E-02 -0.50046E-03 1976 0.146E-01 0.230E-01
DAV: 21 -0.444293823143E+03 -0.20660E-02 -0.92872E-04 2000 0.854E-02 0.207E-01
DAV: 22 -0.444297661880E+03 -0.38387E-02 -0.40621E-03 2120 0.151E-01 0.496E-01
DAV: 23 -0.444299229917E+03 -0.15680E-02 -0.16265E-03 1912 0.918E-02 0.497E-01
DAV: 24 -0.444298618732E+03 0.61119E-03 -0.19176E-03 1864 0.955E-02 0.221E-01
DAV: 25 -0.444300542139E+03 -0.19234E-02 -0.11913E-03 1928 0.595E-02 0.651E-02
DAV: 26 -0.444301385765E+03 -0.84363E-03 -0.19988E-04 1856 0.352E-02 0.806E-02
DAV: 27 -0.444301657144E+03 -0.27138E-03 -0.17760E-04 1744 0.238E-02 0.602E-02
DAV: 28 -0.444302132085E+03 -0.47494E-03 -0.13001E-04 1784 0.318E-02 0.101E-01
DAV: 29 -0.444302140272E+03 -0.81871E-05 -0.51582E-05 1680 0.162E-02
1 F= -.44430214E+03 E0= -.44429108E+03 d E =-.331898E-01