iterations/neb0_image04_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 0.208820658882E+04 0.20882E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.140323080842E+03 -0.22285E+04 -0.21374E+04 2152 0.261E+02
DAV: 3 -0.464866548699E+03 -0.32454E+03 -0.32096E+03 1864 0.107E+02
DAV: 4 -0.477303993795E+03 -0.12437E+02 -0.12389E+02 1952 0.225E+01
DAV: 5 -0.477778080235E+03 -0.47409E+00 -0.47384E+00 2144 0.379E+00 0.428E+01
DAV: 6 -0.447542359841E+03 0.30236E+02 -0.14650E+02 2040 0.320E+01 0.367E+01
DAV: 7 -0.452576023909E+03 -0.50337E+01 -0.15120E+02 1864 0.151E+01 0.202E+01
DAV: 8 -0.446326436949E+03 0.62496E+01 -0.93531E+00 1816 0.922E+00 0.127E+01
DAV: 9 -0.446802742356E+03 -0.47631E+00 -0.30647E+01 1984 0.148E+01 0.194E+01
DAV: 10 -0.444413636013E+03 0.23891E+01 -0.15893E+01 1856 0.469E+00 0.922E+00
DAV: 11 -0.443946023309E+03 0.46761E+00 -0.85575E-01 2064 0.172E+00 0.866E+00
DAV: 12 -0.443658805263E+03 0.28722E+00 -0.82481E-01 1952 0.132E+00 0.717E+00
DAV: 13 -0.443475455709E+03 0.18335E+00 -0.70480E-01 2120 0.115E+00 0.433E+00
DAV: 14 -0.443404093966E+03 0.71362E-01 -0.12833E+00 1960 0.184E+00 0.621E+00
DAV: 15 -0.443335034386E+03 0.69060E-01 -0.25396E+00 1984 0.101E+00 0.410E+00
DAV: 16 -0.443341977564E+03 -0.69432E-02 -0.21380E-01 1992 0.777E-01 0.195E+00
DAV: 17 -0.443352580931E+03 -0.10603E-01 -0.33755E-01 1920 0.590E-01 0.197E+00
DAV: 18 -0.443359487119E+03 -0.69062E-02 -0.53753E-02 1864 0.320E-01 0.291E+00
DAV: 19 -0.443322338451E+03 0.37149E-01 -0.33616E-02 2040 0.317E-01 0.748E-01
DAV: 20 -0.443351193348E+03 -0.28855E-01 -0.17603E-02 1912 0.233E-01 0.719E-01
DAV: 21 -0.443352543801E+03 -0.13505E-02 -0.10601E-02 1960 0.183E-01 0.649E-01
DAV: 22 -0.443353201984E+03 -0.65818E-03 -0.28772E-03 1904 0.140E-01 0.405E-01
DAV: 23 -0.443356367674E+03 -0.31657E-02 -0.17815E-03 2000 0.103E-01 0.474E-01
DAV: 24 -0.443357204898E+03 -0.83722E-03 -0.34319E-03 1920 0.112E-01 0.249E-01
DAV: 25 -0.443359564511E+03 -0.23596E-02 -0.79358E-04 1840 0.711E-02 0.216E-01
DAV: 26 -0.443360310920E+03 -0.74641E-03 -0.74988E-04 2040 0.631E-02 0.105E-01
DAV: 27 -0.443361389381E+03 -0.10785E-02 -0.53617E-04 1896 0.513E-02 0.156E-01
DAV: 28 -0.443361510116E+03 -0.12073E-03 -0.26362E-04 1872 0.366E-02 0.784E-02
DAV: 29 -0.443361756559E+03 -0.24644E-03 -0.67715E-05 1736 0.211E-02 0.484E-02
DAV: 30 -0.443361902240E+03 -0.14568E-03 -0.40787E-05 1632 0.178E-02 0.640E-02
DAV: 31 -0.443362010622E+03 -0.10838E-03 -0.46425E-05 1264 0.117E-02 0.227E-02
DAV: 32 -0.443362087531E+03 -0.76909E-04 -0.11812E-05 1096 0.722E-03 0.131E-02
DAV: 33 -0.443362110678E+03 -0.23147E-04 -0.38524E-06 968 0.579E-03 0.720E-03
DAV: 34 -0.443362124202E+03 -0.13524E-04 -0.58563E-06 984 0.606E-03 0.462E-03
DAV: 35 -0.443362127453E+03 -0.32510E-05 -0.11137E-06 912 0.360E-03
1 F= -.44336213E+03 E0= -.44333731E+03 d E =-.744384E-01