./iterations/neb0_image01_iter70_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 0.208837619780E+04 0.20884E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141255226729E+03 -0.22296E+04 -0.21422E+04 2144 0.261E+02
DAV: 3 -0.461712239122E+03 -0.32046E+03 -0.31688E+03 1888 0.107E+02
DAV: 4 -0.475262932423E+03 -0.13551E+02 -0.13332E+02 1952 0.227E+01
DAV: 5 -0.475799663257E+03 -0.53673E+00 -0.53621E+00 2104 0.391E+00 0.435E+01
DAV: 6 -0.459065103151E+03 0.16735E+02 -0.24282E+02 2056 0.320E+01 0.412E+01
DAV: 7 -0.449804226148E+03 0.92609E+01 -0.42629E+01 1764 0.140E+01 0.198E+01
DAV: 8 -0.445400186835E+03 0.44040E+01 -0.86133E+00 1832 0.700E+00 0.112E+01
DAV: 9 -0.446453543723E+03 -0.10534E+01 -0.22753E+01 2088 0.761E+00 0.980E+00
DAV: 10 -0.445938313988E+03 0.51523E+00 -0.14157E+00 1840 0.218E+00 0.868E+00
DAV: 11 -0.444892355338E+03 0.10460E+01 -0.12113E+00 2032 0.231E+00 0.559E+00
DAV: 12 -0.444957930426E+03 -0.65575E-01 -0.69328E+00 2024 0.268E+00 0.139E+01
DAV: 13 -0.444472505859E+03 0.48542E+00 -0.60158E+00 1968 0.237E+00 0.369E+00
DAV: 14 -0.444510939454E+03 -0.38434E-01 -0.12803E-01 1864 0.745E-01 0.324E+00
DAV: 15 -0.444405130591E+03 0.10581E+00 -0.16560E-02 2032 0.458E-01 0.143E+00
DAV: 16 -0.444405735387E+03 -0.60480E-03 -0.10509E-02 1904 0.344E-01 0.833E-01
DAV: 17 -0.444416136674E+03 -0.10401E-01 -0.12231E-01 2096 0.368E-01 0.654E-01
DAV: 18 -0.444421403748E+03 -0.52671E-02 -0.43123E-03 1896 0.167E-01 0.310E-01
DAV: 19 -0.444421747105E+03 -0.34336E-03 -0.15509E-03 1888 0.880E-02 0.193E-01
DAV: 20 -0.444422622172E+03 -0.87507E-03 -0.62388E-04 1968 0.685E-02 0.458E-02
DAV: 21 -0.444423713872E+03 -0.10917E-02 -0.28575E-04 1792 0.405E-02 0.479E-02
DAV: 22 -0.444424766489E+03 -0.10526E-02 -0.20376E-04 1976 0.405E-02 0.143E-01
DAV: 23 -0.444424769648E+03 -0.31596E-05 -0.18038E-04 1912 0.398E-02 0.360E-02
DAV: 24 -0.444425160369E+03 -0.39072E-03 -0.49506E-05 1680 0.168E-02 0.301E-02
DAV: 25 -0.444425509483E+03 -0.34911E-03 -0.93831E-05 1848 0.235E-02 0.152E-02
DAV: 26 -0.444425736334E+03 -0.22685E-03 -0.30982E-05 1528 0.172E-02 0.172E-02
DAV: 27 -0.444425842674E+03 -0.10634E-03 -0.20438E-05 1376 0.101E-02 0.166E-02
DAV: 28 -0.444425862772E+03 -0.20099E-04 -0.52354E-06 1104 0.608E-03 0.577E-03
DAV: 29 -0.444425889782E+03 -0.27010E-04 -0.35777E-06 1040 0.461E-03 0.145E-02
DAV: 30 -0.444425901294E+03 -0.11512E-04 -0.17164E-06 976 0.368E-03 0.668E-03
DAV: 31 -0.444425908694E+03 -0.74001E-05 -0.76004E-07 936 0.214E-03
1 F= -.44442591E+03 E0= -.44441892E+03 d E =-.209591E-01