iterations/neb0_image08_iter72_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 0.210289818416E+04 0.21029E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.142292786651E+03 -0.22452E+04 -0.21547E+04 2176 0.262E+02
DAV: 3 -0.466307065746E+03 -0.32401E+03 -0.32075E+03 1824 0.108E+02
DAV: 4 -0.479062424188E+03 -0.12755E+02 -0.12705E+02 1992 0.227E+01
DAV: 5 -0.479521537990E+03 -0.45911E+00 -0.45888E+00 2088 0.380E+00 0.428E+01
DAV: 6 -0.447461783234E+03 0.32060E+02 -0.14361E+02 2024 0.309E+01 0.271E+01
DAV: 7 -0.448599767538E+03 -0.11380E+01 -0.64821E+01 1872 0.110E+01 0.137E+01
DAV: 8 -0.446668137982E+03 0.19316E+01 -0.85356E+00 2472 0.801E+00 0.100E+01
DAV: 9 -0.446693039582E+03 -0.24902E-01 -0.18372E+01 2040 0.453E+00 0.555E+00
DAV: 10 -0.445891981260E+03 0.80106E+00 -0.87658E-01 2232 0.431E+00 0.424E+00
DAV: 11 -0.445916608925E+03 -0.24628E-01 -0.25565E+00 1896 0.186E+00 0.422E+00
DAV: 12 -0.445817748905E+03 0.98860E-01 -0.15988E+00 2024 0.114E+00 0.247E+00
DAV: 13 -0.445847395498E+03 -0.29647E-01 -0.94119E-01 2064 0.729E-01 0.297E+00
DAV: 14 -0.445794307324E+03 0.53088E-01 -0.40006E-01 2048 0.667E-01 0.645E-01
DAV: 15 -0.445803068185E+03 -0.87609E-02 -0.13786E-02 1920 0.269E-01 0.629E-01
DAV: 16 -0.445802222642E+03 0.84554E-03 -0.42200E-03 1944 0.132E-01 0.236E-01
DAV: 17 -0.445804354281E+03 -0.21316E-02 -0.22664E-03 1920 0.957E-02 0.128E-01
DAV: 18 -0.445806565988E+03 -0.22117E-02 -0.45184E-04 1880 0.562E-02 0.161E-01
DAV: 19 -0.445808768329E+03 -0.22023E-02 -0.61299E-04 2136 0.735E-02 0.153E-01
DAV: 20 -0.445810252471E+03 -0.14841E-02 -0.65881E-04 1960 0.641E-02 0.760E-02
DAV: 21 -0.445811052791E+03 -0.80032E-03 -0.16988E-04 1816 0.336E-02 0.227E-02
DAV: 22 -0.445811640188E+03 -0.58740E-03 -0.16887E-04 1840 0.287E-02 0.244E-02
DAV: 23 -0.445811924105E+03 -0.28392E-03 -0.79524E-05 1720 0.192E-02 0.789E-02
DAV: 24 -0.445811993624E+03 -0.69519E-04 -0.73892E-05 1488 0.209E-02 0.300E-02
DAV: 25 -0.445812071907E+03 -0.78284E-04 -0.22076E-05 1152 0.117E-02 0.172E-02
DAV: 26 -0.445812120479E+03 -0.48572E-04 -0.69937E-06 1080 0.737E-03 0.879E-03
DAV: 27 -0.445812149292E+03 -0.28813E-04 -0.53694E-06 952 0.610E-03 0.553E-03
DAV: 28 -0.445812168209E+03 -0.18918E-04 -0.16248E-06 992 0.310E-03 0.144E-03
DAV: 29 -0.445812180355E+03 -0.12146E-04 -0.11189E-06 952 0.234E-03 0.525E-03
DAV: 30 -0.445812185731E+03 -0.53761E-05 -0.32352E-07 936 0.135E-03
1 F= -.44581219E+03 E0= -.44578550E+03 d E =-.800642E-01