iterations/neb0_image07_iter59_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 0.210016057029E+04 0.21002E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.138484703954E+03 -0.22386E+04 -0.21492E+04 2144 0.262E+02
DAV: 3 -0.464600329308E+03 -0.32612E+03 -0.32149E+03 1864 0.107E+02
DAV: 4 -0.477648226273E+03 -0.13048E+02 -0.12999E+02 1968 0.229E+01
DAV: 5 -0.478121239497E+03 -0.47301E+00 -0.47274E+00 2096 0.383E+00 0.427E+01
DAV: 6 -0.448502142153E+03 0.29619E+02 -0.14696E+02 2032 0.317E+01 0.270E+01
DAV: 7 -0.445956547525E+03 0.25456E+01 -0.25109E+01 1888 0.116E+01 0.123E+01
DAV: 8 -0.445886083411E+03 0.70464E-01 -0.59201E+00 1992 0.565E+00 0.742E+00
DAV: 9 -0.446739342064E+03 -0.85326E+00 -0.16247E+01 2440 0.441E+00 0.863E+00
DAV: 10 -0.445495109388E+03 0.12442E+01 -0.13021E+00 2688 0.471E+00 0.367E+00
DAV: 11 -0.445429517778E+03 0.65592E-01 -0.84488E-01 1824 0.173E+00 0.141E+00
DAV: 12 -0.445429985020E+03 -0.46724E-03 -0.10645E-01 1968 0.803E-01 0.703E-01
DAV: 13 -0.445435140959E+03 -0.51559E-02 -0.26912E-02 2016 0.468E-01 0.552E-01
DAV: 14 -0.445438806940E+03 -0.36660E-02 -0.15858E-02 1920 0.301E-01 0.474E-01
DAV: 15 -0.445438788641E+03 0.18299E-04 -0.46709E-03 1936 0.184E-01 0.238E-01
DAV: 16 -0.445439752005E+03 -0.96336E-03 -0.89834E-04 1944 0.825E-02 0.886E-02
DAV: 17 -0.445442464801E+03 -0.27128E-02 -0.14142E-03 1880 0.826E-02 0.689E-02
DAV: 18 -0.445443777496E+03 -0.13127E-02 -0.28518E-04 2248 0.537E-02 0.393E-02
DAV: 19 -0.445445828440E+03 -0.20509E-02 -0.58722E-04 2088 0.657E-02 0.572E-02
DAV: 20 -0.445446601666E+03 -0.77323E-03 -0.17248E-04 1888 0.312E-02 0.292E-02
DAV: 21 -0.445447259691E+03 -0.65803E-03 -0.16749E-04 1976 0.331E-02 0.342E-02
DAV: 22 -0.445447604802E+03 -0.34511E-03 -0.39347E-05 1560 0.159E-02 0.172E-02
DAV: 23 -0.445447879484E+03 -0.27468E-03 -0.44007E-05 1616 0.164E-02 0.181E-02
DAV: 24 -0.445447956744E+03 -0.77260E-04 -0.22517E-05 1232 0.129E-02 0.813E-03
DAV: 25 -0.445448004225E+03 -0.47482E-04 -0.49862E-06 1008 0.565E-03 0.597E-03
DAV: 26 -0.445448052673E+03 -0.48448E-04 -0.48120E-06 1104 0.578E-03 0.305E-03
DAV: 27 -0.445448069378E+03 -0.16704E-04 -0.13430E-06 936 0.288E-03 0.211E-03
DAV: 28 -0.445448084616E+03 -0.15238E-04 -0.13884E-06 1008 0.311E-03 0.175E-03
DAV: 29 -0.445448088737E+03 -0.41214E-05 -0.42542E-07 936 0.170E-03
1 F= -.44544809E+03 E0= -.44543392E+03 d E =-.425083E-01