iterations/neb0_image08_iter3_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 0.210173074038E+04 0.21017E+04 -0.11614E+05 1704 0.105E+03
DAV: 2 -0.138709327201E+03 -0.22404E+04 -0.21516E+04 2144 0.262E+02
DAV: 3 -0.465079406402E+03 -0.32637E+03 -0.32277E+03 1872 0.108E+02
DAV: 4 -0.477667169143E+03 -0.12588E+02 -0.12538E+02 1952 0.226E+01
DAV: 5 -0.478141538042E+03 -0.47437E+00 -0.47411E+00 2120 0.381E+00 0.432E+01
DAV: 6 -0.447102118470E+03 0.31039E+02 -0.14535E+02 2032 0.315E+01 0.272E+01
DAV: 7 -0.446314991235E+03 0.78713E+00 -0.24660E+01 1904 0.117E+01 0.134E+01
DAV: 8 -0.446543108902E+03 -0.22812E+00 -0.69260E+00 2488 0.833E+00 0.980E+00
DAV: 9 -0.444643100945E+03 0.19000E+01 -0.22539E+00 2104 0.471E+00 0.318E+00
DAV: 10 -0.444669887504E+03 -0.26787E-01 -0.10918E+00 1896 0.263E+00 0.263E+00
DAV: 11 -0.444712011763E+03 -0.42124E-01 -0.90749E-01 2072 0.145E+00 0.289E+00
DAV: 12 -0.444756503589E+03 -0.44492E-01 -0.18865E+00 2328 0.125E+00 0.437E+00
DAV: 13 -0.444694094599E+03 0.62409E-01 -0.20790E+00 2536 0.140E+00 0.247E+00
DAV: 14 -0.444669503958E+03 0.24591E-01 -0.49919E-02 1864 0.533E-01 0.115E+00
DAV: 15 -0.444661901644E+03 0.76023E-02 -0.30873E-02 2024 0.349E-01 0.236E-01
DAV: 16 -0.444665320109E+03 -0.34185E-02 -0.73391E-03 1880 0.183E-01 0.375E-01
DAV: 17 -0.444667455944E+03 -0.21358E-02 -0.84913E-03 2160 0.182E-01 0.205E-01
DAV: 18 -0.444668207433E+03 -0.75149E-03 -0.18858E-03 1864 0.824E-02 0.742E-02
DAV: 19 -0.444669698626E+03 -0.14912E-02 -0.33573E-04 2104 0.474E-02 0.668E-02
DAV: 20 -0.444672111077E+03 -0.24125E-02 -0.13175E-03 1960 0.546E-02 0.159E-01
DAV: 21 -0.444673938580E+03 -0.18275E-02 -0.77164E-04 1808 0.559E-02 0.383E-02
DAV: 22 -0.444674691339E+03 -0.75276E-03 -0.30647E-04 1912 0.369E-02 0.238E-02
DAV: 23 -0.444674915437E+03 -0.22410E-03 -0.77530E-05 1792 0.220E-02 0.227E-02
DAV: 24 -0.444675169693E+03 -0.25426E-03 -0.66026E-05 1560 0.181E-02 0.452E-02
DAV: 25 -0.444675313363E+03 -0.14367E-03 -0.46096E-05 1528 0.135E-02 0.188E-02
DAV: 26 -0.444675351042E+03 -0.37679E-04 -0.91891E-06 992 0.726E-03 0.637E-03
DAV: 27 -0.444675383916E+03 -0.32874E-04 -0.46308E-06 1024 0.440E-03 0.463E-03
DAV: 28 -0.444675404466E+03 -0.20550E-04 -0.12717E-06 952 0.362E-03 0.441E-03
DAV: 29 -0.444675415141E+03 -0.10675E-04 -0.20447E-06 936 0.335E-03 0.210E-03
DAV: 30 -0.444675421387E+03 -0.62455E-05 -0.54112E-07 936 0.211E-03
1 F= -.44467542E+03 E0= -.44465495E+03 d E =-.614187E-01