iterations/neb0_image07_iter68_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 0.210132891103E+04 0.21013E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.139706134383E+03 -0.22410E+04 -0.21521E+04 2152 0.262E+02
DAV: 3 -0.465288209820E+03 -0.32558E+03 -0.32161E+03 1872 0.107E+02
DAV: 4 -0.477969564472E+03 -0.12681E+02 -0.12633E+02 1944 0.227E+01
DAV: 5 -0.478454916715E+03 -0.48535E+00 -0.48509E+00 2128 0.386E+00 0.429E+01
DAV: 6 -0.448368142592E+03 0.30087E+02 -0.14682E+02 2008 0.315E+01 0.271E+01
DAV: 7 -0.446274639698E+03 0.20935E+01 -0.24985E+01 1896 0.115E+01 0.134E+01
DAV: 8 -0.447980288029E+03 -0.17056E+01 -0.40921E+01 2416 0.835E+00 0.993E+00
DAV: 9 -0.445919788237E+03 0.20605E+01 -0.25137E+00 2088 0.472E+00 0.636E+00
DAV: 10 -0.446949804288E+03 -0.10300E+01 -0.21773E+01 2336 0.621E+00 0.884E+00
DAV: 11 -0.445392548681E+03 0.15573E+01 -0.13887E+00 2224 0.410E+00 0.179E+00
DAV: 12 -0.445508234983E+03 -0.11569E+00 -0.75024E-01 1888 0.127E+00 0.341E+00
DAV: 13 -0.445526106951E+03 -0.17872E-01 -0.15620E+00 2656 0.131E+00 0.268E+00
DAV: 14 -0.445465665191E+03 0.60442E-01 -0.39798E-01 2488 0.957E-01 0.127E+00
DAV: 15 -0.445483936035E+03 -0.18271E-01 -0.36761E-02 1816 0.318E-01 0.192E+00
DAV: 16 -0.445463416713E+03 0.20519E-01 -0.91677E-02 2416 0.444E-01 0.565E-01
DAV: 17 -0.445473085707E+03 -0.96690E-02 -0.88811E-03 1888 0.216E-01 0.853E-01
DAV: 18 -0.445470257852E+03 0.28279E-02 -0.14230E-03 2032 0.118E-01 0.592E-01
DAV: 19 -0.445469428546E+03 0.82931E-03 -0.19776E-03 2008 0.123E-01 0.136E-01
DAV: 20 -0.445472219470E+03 -0.27909E-02 -0.15111E-03 1928 0.923E-02 0.151E-01
DAV: 21 -0.445473790590E+03 -0.15711E-02 -0.27388E-04 1824 0.369E-02 0.160E-01
DAV: 22 -0.445473889982E+03 -0.99392E-04 -0.51170E-05 1608 0.175E-02 0.131E-01
DAV: 23 -0.445474912889E+03 -0.10229E-02 -0.20212E-04 1744 0.385E-02 0.238E-02
DAV: 24 -0.445475622380E+03 -0.70949E-03 -0.16201E-04 1768 0.246E-02 0.205E-02
DAV: 25 -0.445475687408E+03 -0.65028E-04 -0.26212E-05 1352 0.115E-02 0.207E-02
DAV: 26 -0.445475746585E+03 -0.59177E-04 -0.67121E-06 1120 0.634E-03 0.114E-02
DAV: 27 -0.445475812240E+03 -0.65655E-04 -0.11876E-05 1256 0.813E-03 0.105E-02
DAV: 28 -0.445475842253E+03 -0.30013E-04 -0.19373E-06 1016 0.328E-03 0.117E-02
DAV: 29 -0.445475859132E+03 -0.16880E-04 -0.14479E-06 952 0.363E-03 0.136E-03
DAV: 30 -0.445475872841E+03 -0.13709E-04 -0.11574E-06 992 0.244E-03 0.538E-03
DAV: 31 -0.445475878529E+03 -0.56874E-05 -0.35768E-07 936 0.166E-03
1 F= -.44547588E+03 E0= -.44545923E+03 d E =-.499312E-01