./iterations/neb0_image01_iter66_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 0.208832696679E+04 0.20883E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141265943381E+03 -0.22296E+04 -0.21421E+04 2144 0.261E+02
DAV: 3 -0.461753864768E+03 -0.32049E+03 -0.31686E+03 1896 0.107E+02
DAV: 4 -0.475286600106E+03 -0.13533E+02 -0.13308E+02 1944 0.227E+01
DAV: 5 -0.475826737092E+03 -0.54014E+00 -0.53974E+00 2128 0.394E+00 0.435E+01
DAV: 6 -0.458935235881E+03 0.16892E+02 -0.24195E+02 2048 0.319E+01 0.411E+01
DAV: 7 -0.449863875571E+03 0.90714E+01 -0.41630E+01 1756 0.140E+01 0.198E+01
DAV: 8 -0.445424051776E+03 0.44398E+01 -0.83589E+00 1784 0.698E+00 0.113E+01
DAV: 9 -0.446582578597E+03 -0.11585E+01 -0.25078E+01 2128 0.780E+00 0.996E+00
DAV: 10 -0.446059935751E+03 0.52264E+00 -0.14863E+00 1824 0.222E+00 0.898E+00
DAV: 11 -0.444907232581E+03 0.11527E+01 -0.18024E+00 2008 0.240E+00 0.578E+00
DAV: 12 -0.444820286147E+03 0.86946E-01 -0.61927E+00 2040 0.268E+00 0.127E+01
DAV: 13 -0.444530949673E+03 0.28934E+00 -0.11072E+01 1984 0.235E+00 0.384E+00
DAV: 14 -0.444535237125E+03 -0.42875E-02 -0.12305E-01 1864 0.728E-01 0.349E+00
DAV: 15 -0.444399435795E+03 0.13580E+00 -0.23125E-02 1992 0.522E-01 0.147E+00
DAV: 16 -0.444402077083E+03 -0.26413E-02 -0.14026E-02 1872 0.362E-01 0.704E-01
DAV: 17 -0.444416176294E+03 -0.14099E-01 -0.69215E-02 2048 0.330E-01 0.579E-01
DAV: 18 -0.444421498623E+03 -0.53223E-02 -0.39116E-03 1928 0.157E-01 0.338E-01
DAV: 19 -0.444421357494E+03 0.14113E-03 -0.11206E-03 1880 0.733E-02 0.186E-01
DAV: 20 -0.444422468454E+03 -0.11110E-02 -0.45827E-04 1896 0.573E-02 0.984E-02
DAV: 21 -0.444423390183E+03 -0.92173E-03 -0.15731E-04 1952 0.327E-02 0.741E-02
DAV: 22 -0.444424272121E+03 -0.88194E-03 -0.22076E-04 2000 0.417E-02 0.107E-01
DAV: 23 -0.444424320429E+03 -0.48308E-04 -0.94622E-05 1856 0.280E-02 0.230E-02
DAV: 24 -0.444424674085E+03 -0.35366E-03 -0.25932E-05 1440 0.119E-02 0.180E-02
DAV: 25 -0.444425356785E+03 -0.68270E-03 -0.12459E-04 1776 0.240E-02 0.572E-02
DAV: 26 -0.444425383330E+03 -0.26545E-04 -0.21986E-05 1384 0.134E-02 0.125E-02
DAV: 27 -0.444425449765E+03 -0.66435E-04 -0.20022E-05 1440 0.112E-02 0.101E-02
DAV: 28 -0.444425463857E+03 -0.14092E-04 -0.25569E-06 936 0.423E-03 0.872E-03
DAV: 29 -0.444425495047E+03 -0.31190E-04 -0.61712E-06 1072 0.676E-03 0.156E-02
DAV: 30 -0.444425502063E+03 -0.70164E-05 -0.14085E-06 936 0.327E-03
1 F= -.44442550E+03 E0= -.44441857E+03 d E =-.207873E-01