iterations/neb0_image03_iter8_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 0.209533129071E+04 0.20953E+04 -0.11597E+05 1696 0.105E+03
DAV: 2 -0.136923685052E+03 -0.22323E+04 -0.21429E+04 2144 0.261E+02
DAV: 3 -0.463976501126E+03 -0.32705E+03 -0.32294E+03 1864 0.108E+02
DAV: 4 -0.476977741073E+03 -0.13001E+02 -0.12950E+02 1984 0.228E+01
DAV: 5 -0.477454277410E+03 -0.47654E+00 -0.47631E+00 2132 0.382E+00 0.431E+01
DAV: 6 -0.449574433933E+03 0.27880E+02 -0.14683E+02 2024 0.316E+01 0.409E+01
DAV: 7 -0.454171564935E+03 -0.45971E+01 -0.17544E+02 1816 0.153E+01 0.217E+01
DAV: 8 -0.447758924242E+03 0.64126E+01 -0.96160E+00 1840 0.927E+00 0.136E+01
DAV: 9 -0.445510021027E+03 0.22489E+01 -0.18265E+01 2080 0.124E+01 0.119E+01
DAV: 10 -0.444836644200E+03 0.67338E+00 -0.44328E+00 1896 0.378E+00 0.111E+01
DAV: 11 -0.444203616024E+03 0.63303E+00 -0.44113E-01 2024 0.191E+00 0.100E+01
DAV: 12 -0.444648906241E+03 -0.44529E+00 -0.16944E+01 2152 0.402E+00 0.936E+00
DAV: 13 -0.443425902066E+03 0.12230E+01 -0.72248E-01 2032 0.359E+00 0.437E+00
DAV: 14 -0.443562388014E+03 -0.13649E+00 -0.27315E+00 1888 0.127E+00 0.793E+00
DAV: 15 -0.443317508795E+03 0.24488E+00 -0.45961E-01 1880 0.657E-01 0.137E+00
DAV: 16 -0.443413451865E+03 -0.95943E-01 -0.10051E-01 1912 0.494E-01 0.347E+00
DAV: 17 -0.443379837020E+03 0.33615E-01 -0.43004E-02 1928 0.313E-01 0.225E+00
DAV: 18 -0.443398687136E+03 -0.18850E-01 -0.13694E-01 2176 0.534E-01 0.212E+00
DAV: 19 -0.443403805798E+03 -0.51187E-02 -0.10040E-02 1784 0.224E-01 0.206E+00
DAV: 20 -0.443387618113E+03 0.16188E-01 -0.65689E-03 2032 0.153E-01 0.140E+00
DAV: 21 -0.443389933017E+03 -0.23149E-02 -0.14962E-02 1976 0.219E-01 0.317E-01
DAV: 22 -0.443401469042E+03 -0.11536E-01 -0.26663E-03 1880 0.121E-01 0.151E-01
DAV: 23 -0.443403436640E+03 -0.19676E-02 -0.92172E-04 1864 0.628E-02 0.911E-02
DAV: 24 -0.443405630118E+03 -0.21935E-02 -0.51918E-04 1896 0.457E-02 0.124E-01
DAV: 25 -0.443407137607E+03 -0.15075E-02 -0.53258E-04 2056 0.583E-02 0.740E-02
DAV: 26 -0.443407517340E+03 -0.37973E-03 -0.12114E-04 1872 0.256E-02 0.633E-02
DAV: 27 -0.443407996705E+03 -0.47936E-03 -0.95981E-05 1696 0.229E-02 0.143E-01
DAV: 28 -0.443408221278E+03 -0.22457E-03 -0.17717E-04 1888 0.237E-02 0.352E-02
DAV: 29 -0.443408404928E+03 -0.18365E-03 -0.18132E-05 1184 0.109E-02 0.317E-02
DAV: 30 -0.443408477613E+03 -0.72685E-04 -0.63003E-06 1072 0.695E-03 0.289E-02
DAV: 31 -0.443408580870E+03 -0.10326E-03 -0.23743E-05 1336 0.121E-02 0.328E-02
DAV: 32 -0.443408604679E+03 -0.23809E-04 -0.92683E-06 1080 0.716E-03 0.887E-03
DAV: 33 -0.443408621057E+03 -0.16378E-04 -0.57246E-06 936 0.582E-03 0.853E-03
DAV: 34 -0.443408629736E+03 -0.86789E-05 -0.19427E-06 912 0.384E-03
1 F= -.44340863E+03 E0= -.44339614E+03 d E =-.374831E-01