iterations/neb0_image03_iter13_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 0.209632220823E+04 0.20963E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.137295890135E+03 -0.22336E+04 -0.21445E+04 2144 0.262E+02
DAV: 3 -0.464428766543E+03 -0.32713E+03 -0.32296E+03 1848 0.108E+02
DAV: 4 -0.477422764398E+03 -0.12994E+02 -0.12938E+02 1984 0.228E+01
DAV: 5 -0.477904882286E+03 -0.48212E+00 -0.48188E+00 2136 0.384E+00 0.431E+01
DAV: 6 -0.450434711632E+03 0.27470E+02 -0.14762E+02 2016 0.318E+01 0.407E+01
DAV: 7 -0.454201381620E+03 -0.37667E+01 -0.13429E+02 1792 0.150E+01 0.217E+01
DAV: 8 -0.447593100371E+03 0.66083E+01 -0.94195E+00 1848 0.957E+00 0.136E+01
DAV: 9 -0.446051086287E+03 0.15420E+01 -0.19426E+01 2112 0.124E+01 0.122E+01
DAV: 10 -0.445276630593E+03 0.77446E+00 -0.39547E+00 1880 0.369E+00 0.113E+01
DAV: 11 -0.444653702432E+03 0.62293E+00 -0.71515E-01 2024 0.184E+00 0.998E+00
DAV: 12 -0.443965346279E+03 0.68836E+00 -0.58540E+00 2152 0.327E+00 0.911E+00
DAV: 13 -0.443922541062E+03 0.42805E-01 -0.48028E+00 1920 0.284E+00 0.664E+00
DAV: 14 -0.443574004401E+03 0.34854E+00 -0.20909E+00 1904 0.141E+00 0.282E+00
DAV: 15 -0.443583636882E+03 -0.96325E-02 -0.72713E-02 1888 0.556E-01 0.129E+00
DAV: 16 -0.443614449487E+03 -0.30813E-01 -0.61507E-02 1904 0.347E-01 0.303E+00
DAV: 17 -0.443578973399E+03 0.35476E-01 -0.17051E-01 2320 0.556E-01 0.107E+00
DAV: 18 -0.443594427142E+03 -0.15454E-01 -0.11893E-02 1864 0.215E-01 0.711E-01
DAV: 19 -0.443593828955E+03 0.59819E-03 -0.27802E-03 2168 0.135E-01 0.566E-01
DAV: 20 -0.443595798175E+03 -0.19692E-02 -0.32957E-03 2000 0.138E-01 0.406E-01
DAV: 21 -0.443599347539E+03 -0.35494E-02 -0.12025E-03 1784 0.781E-02 0.261E-01
DAV: 22 -0.443601120067E+03 -0.17725E-02 -0.70635E-04 2152 0.673E-02 0.692E-02
DAV: 23 -0.443603556316E+03 -0.24362E-02 -0.57704E-04 1864 0.485E-02 0.164E-01
DAV: 24 -0.443604075097E+03 -0.51878E-03 -0.18487E-04 1872 0.296E-02 0.416E-02
DAV: 25 -0.443604965670E+03 -0.89057E-03 -0.17729E-04 1808 0.287E-02 0.253E-02
DAV: 26 -0.443605081757E+03 -0.11609E-03 -0.25038E-05 1408 0.142E-02 0.170E-02
DAV: 27 -0.443605223159E+03 -0.14140E-03 -0.35048E-05 1592 0.150E-02 0.369E-02
DAV: 28 -0.443605304567E+03 -0.81408E-04 -0.11469E-05 1232 0.913E-03 0.142E-02
DAV: 29 -0.443605358361E+03 -0.53794E-04 -0.49523E-06 1024 0.529E-03 0.140E-02
DAV: 30 -0.443605396057E+03 -0.37696E-04 -0.62574E-06 1160 0.684E-03 0.206E-02
DAV: 31 -0.443605407764E+03 -0.11706E-04 -0.50437E-06 936 0.573E-03 0.831E-03
DAV: 32 -0.443605410426E+03 -0.26630E-05 -0.10130E-06 936 0.321E-03
1 F= -.44360541E+03 E0= -.44359460E+03 d E =-.324447E-01