iterations/neb0_image01_iter69_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 0.208836431938E+04 0.20884E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141257853024E+03 -0.22296E+04 -0.21422E+04 2144 0.261E+02
DAV: 3 -0.461743953239E+03 -0.32049E+03 -0.31688E+03 1896 0.107E+02
DAV: 4 -0.475259053712E+03 -0.13515E+02 -0.13296E+02 1944 0.227E+01
DAV: 5 -0.475803725602E+03 -0.54467E+00 -0.54417E+00 2128 0.394E+00 0.435E+01
DAV: 6 -0.459061785760E+03 0.16742E+02 -0.24280E+02 2048 0.320E+01 0.412E+01
DAV: 7 -0.449819057304E+03 0.92427E+01 -0.42616E+01 1756 0.140E+01 0.198E+01
DAV: 8 -0.445403361945E+03 0.44157E+01 -0.85620E+00 1824 0.699E+00 0.112E+01
DAV: 9 -0.446461823830E+03 -0.10585E+01 -0.22880E+01 2088 0.763E+00 0.981E+00
DAV: 10 -0.445946065999E+03 0.51576E+00 -0.14170E+00 1824 0.218E+00 0.871E+00
DAV: 11 -0.444876440755E+03 0.10696E+01 -0.12789E+00 2024 0.233E+00 0.555E+00
DAV: 12 -0.444973943848E+03 -0.97503E-01 -0.69952E+00 2048 0.268E+00 0.139E+01
DAV: 13 -0.444471567281E+03 0.50238E+00 -0.60442E+00 1968 0.234E+00 0.372E+00
DAV: 14 -0.444506423369E+03 -0.34856E-01 -0.12621E-01 1864 0.744E-01 0.323E+00
DAV: 15 -0.444405263299E+03 0.10116E+00 -0.15469E-02 2024 0.448E-01 0.147E+00
DAV: 16 -0.444404952896E+03 0.31040E-03 -0.10435E-02 1920 0.350E-01 0.806E-01
DAV: 17 -0.444415603331E+03 -0.10650E-01 -0.10531E-01 2056 0.357E-01 0.572E-01
DAV: 18 -0.444421481243E+03 -0.58779E-02 -0.40928E-03 1888 0.163E-01 0.279E-01
DAV: 19 -0.444421835970E+03 -0.35473E-03 -0.14496E-03 1880 0.833E-02 0.166E-01
DAV: 20 -0.444422738926E+03 -0.90296E-03 -0.48036E-04 2008 0.623E-02 0.524E-02
DAV: 21 -0.444423800763E+03 -0.10618E-02 -0.26628E-04 1872 0.392E-02 0.538E-02
DAV: 22 -0.444424857576E+03 -0.10568E-02 -0.23478E-04 1992 0.429E-02 0.143E-01
DAV: 23 -0.444424813427E+03 0.44149E-04 -0.16134E-04 1864 0.367E-02 0.376E-02
DAV: 24 -0.444425199375E+03 -0.38595E-03 -0.42211E-05 1672 0.150E-02 0.316E-02
DAV: 25 -0.444425607854E+03 -0.40848E-03 -0.10978E-04 1896 0.265E-02 0.247E-02
DAV: 26 -0.444425792165E+03 -0.18431E-03 -0.29468E-05 1552 0.179E-02 0.183E-02
DAV: 27 -0.444425892427E+03 -0.10026E-03 -0.24855E-05 1416 0.105E-02 0.172E-02
DAV: 28 -0.444425911262E+03 -0.18835E-04 -0.47183E-06 1072 0.558E-03 0.448E-03
DAV: 29 -0.444425937660E+03 -0.26398E-04 -0.41848E-06 1048 0.537E-03 0.147E-02
DAV: 30 -0.444425949885E+03 -0.12225E-04 -0.17045E-06 1000 0.362E-03 0.773E-03
DAV: 31 -0.444425958000E+03 -0.81149E-05 -0.87695E-07 944 0.231E-03
1 F= -.44442596E+03 E0= -.44441898E+03 d E =-.209338E-01