iterations/neb0_image08_iter5_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 0.209995668988E+04 0.21000E+04 -0.11613E+05 1704 0.105E+03
DAV: 2 -0.139158363965E+03 -0.22391E+04 -0.21504E+04 2144 0.262E+02
DAV: 3 -0.465114072956E+03 -0.32596E+03 -0.32234E+03 1864 0.108E+02
DAV: 4 -0.477812041567E+03 -0.12698E+02 -0.12648E+02 1952 0.227E+01
DAV: 5 -0.478291632500E+03 -0.47959E+00 -0.47932E+00 2120 0.383E+00 0.430E+01
DAV: 6 -0.447390743290E+03 0.30901E+02 -0.14481E+02 2032 0.316E+01 0.272E+01
DAV: 7 -0.446562441119E+03 0.82830E+00 -0.24559E+01 1888 0.116E+01 0.133E+01
DAV: 8 -0.446874817779E+03 -0.31238E+00 -0.68675E+00 2480 0.835E+00 0.980E+00
DAV: 9 -0.444945872752E+03 0.19289E+01 -0.22002E+00 2080 0.468E+00 0.336E+00
DAV: 10 -0.445080439454E+03 -0.13457E+00 -0.21641E+00 1896 0.287E+00 0.515E+00
DAV: 11 -0.445072746868E+03 0.76926E-02 -0.39698E+00 2336 0.207E+00 0.395E+00
DAV: 12 -0.445017435764E+03 0.55311E-01 -0.24898E+00 2224 0.144E+00 0.359E+00
DAV: 13 -0.444958628568E+03 0.58807E-01 -0.91917E-01 2328 0.103E+00 0.136E+00
DAV: 14 -0.444972569092E+03 -0.13941E-01 -0.40918E-02 1856 0.427E-01 0.145E+00
DAV: 15 -0.444958504006E+03 0.14065E-01 -0.32828E-02 2168 0.332E-01 0.181E-01
DAV: 16 -0.444964356913E+03 -0.58529E-02 -0.95262E-03 1944 0.191E-01 0.369E-01
DAV: 17 -0.444965184143E+03 -0.82723E-03 -0.10504E-03 1896 0.899E-02 0.201E-01
DAV: 18 -0.444968037860E+03 -0.28537E-02 -0.51220E-03 2224 0.123E-01 0.252E-01
DAV: 19 -0.444969498241E+03 -0.14604E-02 -0.75370E-04 1816 0.541E-02 0.158E-01
DAV: 20 -0.444971225072E+03 -0.17268E-02 -0.12359E-03 1952 0.565E-02 0.537E-02
DAV: 21 -0.444972410570E+03 -0.11855E-02 -0.34763E-04 1848 0.380E-02 0.123E-01
DAV: 22 -0.444972869203E+03 -0.45863E-03 -0.29905E-04 1872 0.331E-02 0.399E-02
DAV: 23 -0.444973008745E+03 -0.13954E-03 -0.64456E-05 1688 0.151E-02 0.870E-03
DAV: 24 -0.444973086786E+03 -0.78042E-04 -0.11766E-05 1048 0.101E-02 0.373E-03
DAV: 25 -0.444973166164E+03 -0.79378E-04 -0.62153E-06 1144 0.500E-03 0.783E-03
DAV: 26 -0.444973201703E+03 -0.35539E-04 -0.20530E-06 1000 0.409E-03 0.290E-03
DAV: 27 -0.444973226394E+03 -0.24691E-04 -0.63246E-06 1008 0.517E-03 0.104E-02
DAV: 28 -0.444973237665E+03 -0.11271E-04 -0.11798E-06 936 0.292E-03 0.627E-03
DAV: 29 -0.444973247124E+03 -0.94583E-05 -0.24362E-06 1000 0.324E-03
1 F= -.44497325E+03 E0= -.44495305E+03 d E =-.605984E-01