iterations/neb0_image09_iter21_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 0.209595560710E+04 0.20960E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.141975821562E+03 -0.22379E+04 -0.21492E+04 2144 0.262E+02
DAV: 3 -0.466337887583E+03 -0.32436E+03 -0.32097E+03 1840 0.108E+02
DAV: 4 -0.479083541671E+03 -0.12746E+02 -0.12694E+02 1968 0.227E+01
DAV: 5 -0.479539536208E+03 -0.45599E+00 -0.45576E+00 2128 0.378E+00 0.427E+01
DAV: 6 -0.447231649097E+03 0.32308E+02 -0.14307E+02 2008 0.307E+01 0.271E+01
DAV: 7 -0.448906960724E+03 -0.16753E+01 -0.71656E+01 1904 0.112E+01 0.136E+01
DAV: 8 -0.446348033968E+03 0.25589E+01 -0.80442E+00 2432 0.800E+00 0.932E+00
DAV: 9 -0.446910800982E+03 -0.56277E+00 -0.19589E+01 1984 0.428E+00 0.522E+00
DAV: 10 -0.445918715105E+03 0.99209E+00 -0.76651E-01 2160 0.401E+00 0.208E+00
DAV: 11 -0.445956171742E+03 -0.37457E-01 -0.91097E-01 1888 0.145E+00 0.207E+00
DAV: 12 -0.445980973168E+03 -0.24801E-01 -0.10511E+00 1984 0.918E-01 0.322E+00
DAV: 13 -0.446067245270E+03 -0.86272E-01 -0.22529E+00 2424 0.107E+00 0.436E+00
DAV: 14 -0.445922338270E+03 0.14491E+00 -0.18338E-01 2040 0.688E-01 0.131E+00
DAV: 15 -0.445921560247E+03 0.77802E-03 -0.62373E-02 2040 0.362E-01 0.237E-01
DAV: 16 -0.445926043320E+03 -0.44831E-02 -0.49367E-03 1856 0.183E-01 0.118E-01
DAV: 17 -0.445929272660E+03 -0.32293E-02 -0.25998E-03 2136 0.108E-01 0.554E-01
DAV: 18 -0.445930204774E+03 -0.93211E-03 -0.43735E-03 1968 0.106E-01 0.213E-01
DAV: 19 -0.445931841540E+03 -0.16368E-02 -0.90642E-04 1880 0.718E-02 0.548E-02
DAV: 20 -0.445933918809E+03 -0.20773E-02 -0.51267E-04 1976 0.516E-02 0.451E-02
DAV: 21 -0.445935692762E+03 -0.17740E-02 -0.28152E-04 1752 0.339E-02 0.379E-02
DAV: 22 -0.445936403201E+03 -0.71044E-03 -0.14165E-04 1776 0.235E-02 0.505E-02
DAV: 23 -0.445936713192E+03 -0.30999E-03 -0.72163E-05 1568 0.146E-02 0.226E-02
DAV: 24 -0.445936898774E+03 -0.18558E-03 -0.46330E-05 1232 0.128E-02 0.549E-02
DAV: 25 -0.445936967787E+03 -0.69013E-04 -0.22969E-05 1144 0.975E-03 0.634E-03
DAV: 26 -0.445937030753E+03 -0.62966E-04 -0.14441E-05 1216 0.764E-03 0.230E-02
DAV: 27 -0.445937047863E+03 -0.17110E-04 -0.38490E-06 936 0.554E-03 0.844E-03
DAV: 28 -0.445937061085E+03 -0.13222E-04 -0.22979E-06 976 0.356E-03 0.218E-03
DAV: 29 -0.445937070773E+03 -0.96874E-05 -0.85927E-07 936 0.276E-03
1 F= -.44593707E+03 E0= -.44591105E+03 d E =-.780559E-01