iterations/neb0_image02_iter10_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 0.208747385349E+04 0.20875E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141392194634E+03 -0.22289E+04 -0.21410E+04 2144 0.261E+02
DAV: 3 -0.463016615631E+03 -0.32162E+03 -0.31638E+03 1936 0.107E+02
DAV: 4 -0.476210491109E+03 -0.13194E+02 -0.13140E+02 1920 0.227E+01
DAV: 5 -0.476690356629E+03 -0.47987E+00 -0.47954E+00 2152 0.381E+00 0.432E+01
DAV: 6 -0.454941561492E+03 0.21749E+02 -0.14937E+02 2048 0.320E+01 0.407E+01
DAV: 7 -0.452937871808E+03 0.20037E+01 -0.42185E+01 1784 0.142E+01 0.219E+01
DAV: 8 -0.445990074716E+03 0.69478E+01 -0.94444E+00 1808 0.828E+00 0.132E+01
DAV: 9 -0.447986393782E+03 -0.19963E+01 -0.28918E+01 2072 0.111E+01 0.199E+01
DAV: 10 -0.445714844451E+03 0.22715E+01 -0.18866E+01 1856 0.378E+00 0.103E+01
DAV: 11 -0.445588431524E+03 0.12641E+00 -0.27647E-01 1944 0.947E-01 0.984E+00
DAV: 12 -0.445411774378E+03 0.17666E+00 -0.10506E-01 1944 0.878E-01 0.885E+00
DAV: 13 -0.446483336564E+03 -0.10716E+01 -0.63601E+00 1976 0.378E+00 0.205E+01
DAV: 14 -0.445025627404E+03 0.14577E+01 -0.81986E+00 1848 0.171E+00 0.691E+00
DAV: 15 -0.444640249791E+03 0.38538E+00 -0.53917E-01 2104 0.173E+00 0.432E+00
DAV: 16 -0.444455702786E+03 0.18455E+00 -0.11180E-01 1896 0.955E-01 0.389E+00
DAV: 17 -0.444350371708E+03 0.10533E+00 -0.23350E-02 2080 0.447E-01 0.317E+00
DAV: 18 -0.444211664087E+03 0.13871E+00 -0.94450E-02 2160 0.750E-01 0.181E+00
DAV: 19 -0.444227674553E+03 -0.16010E-01 -0.31826E-01 1976 0.111E+00 0.496E+00
DAV: 20 -0.444138606046E+03 0.89069E-01 -0.67722E-02 1856 0.445E-01 0.336E+00
DAV: 21 -0.444127285358E+03 0.11321E-01 -0.72932E-03 2024 0.229E-01 0.107E+00
DAV: 22 -0.444160160712E+03 -0.32875E-01 -0.28394E-03 1808 0.141E-01 0.895E-01
DAV: 23 -0.444162059955E+03 -0.18992E-02 -0.23307E-03 2128 0.190E-01 0.356E-01
DAV: 24 -0.444167551106E+03 -0.54912E-02 -0.16105E-03 1920 0.135E-01 0.232E-01
DAV: 25 -0.444169134547E+03 -0.15834E-02 -0.13410E-03 1776 0.824E-02 0.482E-01
DAV: 26 -0.444168682511E+03 0.45204E-03 -0.21473E-04 1936 0.474E-02 0.425E-01
DAV: 27 -0.444168228171E+03 0.45434E-03 -0.23583E-04 2168 0.609E-02 0.168E-01
DAV: 28 -0.444169444393E+03 -0.12162E-02 -0.25048E-04 1904 0.458E-02 0.750E-02
DAV: 29 -0.444170051353E+03 -0.60696E-03 -0.17758E-04 1920 0.339E-02 0.498E-02
DAV: 30 -0.444170239824E+03 -0.18847E-03 -0.19353E-05 1328 0.107E-02 0.462E-02
DAV: 31 -0.444170634332E+03 -0.39451E-03 -0.45120E-05 1584 0.165E-02 0.770E-02
DAV: 32 -0.444170709649E+03 -0.75317E-04 -0.16942E-05 1360 0.958E-03 0.662E-02
DAV: 33 -0.444170724685E+03 -0.15037E-04 -0.78320E-06 1168 0.791E-03 0.396E-02
DAV: 34 -0.444170781640E+03 -0.56954E-04 -0.44097E-06 1088 0.591E-03 0.640E-02
DAV: 35 -0.444170766196E+03 0.15443E-04 -0.26319E-06 992 0.608E-03 0.438E-02
DAV: 36 -0.444170779704E+03 -0.13508E-04 -0.18527E-06 912 0.362E-03 0.373E-02
DAV: 37 -0.444170784040E+03 -0.43357E-05 -0.64396E-07 912 0.208E-03
1 F= -.44417078E+03 E0= -.44416350E+03 d E =-.218392E-01