iterations/neb0_image09_iter49_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 0.209694035693E+04 0.20969E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.142917378425E+03 -0.22399E+04 -0.21499E+04 2160 0.262E+02
DAV: 3 -0.466456851426E+03 -0.32354E+03 -0.32020E+03 1840 0.108E+02
DAV: 4 -0.479208100416E+03 -0.12751E+02 -0.12703E+02 1960 0.227E+01
DAV: 5 -0.479666701872E+03 -0.45860E+00 -0.45835E+00 2088 0.379E+00 0.427E+01
DAV: 6 -0.447153376870E+03 0.32513E+02 -0.14257E+02 2016 0.308E+01 0.271E+01
DAV: 7 -0.449080070195E+03 -0.19267E+01 -0.75134E+01 1928 0.111E+01 0.137E+01
DAV: 8 -0.446252832892E+03 0.28272E+01 -0.82089E+00 2424 0.801E+00 0.856E+00
DAV: 9 -0.446807672060E+03 -0.55484E+00 -0.14505E+01 1880 0.391E+00 0.484E+00
DAV: 10 -0.446010969573E+03 0.79670E+00 -0.61917E-01 2072 0.388E+00 0.340E+00
DAV: 11 -0.446128054092E+03 -0.11708E+00 -0.25385E+00 1904 0.167E+00 0.413E+00
DAV: 12 -0.446012986868E+03 0.11507E+00 -0.20807E+00 2000 0.131E+00 0.307E+00
DAV: 13 -0.446048760883E+03 -0.35774E-01 -0.15912E+00 2112 0.958E-01 0.349E+00
DAV: 14 -0.445961672155E+03 0.87089E-01 -0.35271E-01 1992 0.652E-01 0.321E-01
DAV: 15 -0.445971447739E+03 -0.97756E-02 -0.19716E-02 1984 0.266E-01 0.555E-01
DAV: 16 -0.445971622812E+03 -0.17507E-03 -0.70112E-03 1856 0.156E-01 0.182E-01
DAV: 17 -0.445973670200E+03 -0.20474E-02 -0.25588E-03 1888 0.995E-02 0.180E-01
DAV: 18 -0.445976725878E+03 -0.30557E-02 -0.51134E-03 2000 0.803E-02 0.367E-01
DAV: 19 -0.445978860745E+03 -0.21349E-02 -0.73800E-03 2192 0.122E-01 0.347E-01
DAV: 20 -0.445980062815E+03 -0.12021E-02 -0.90439E-04 1848 0.561E-02 0.121E-01
DAV: 21 -0.445981056289E+03 -0.99347E-03 -0.54713E-04 1872 0.512E-02 0.297E-02
DAV: 22 -0.445981610594E+03 -0.55431E-03 -0.21118E-04 1832 0.323E-02 0.678E-02
DAV: 23 -0.445981829111E+03 -0.21852E-03 -0.33006E-05 1488 0.147E-02 0.669E-02
DAV: 24 -0.445981945537E+03 -0.11643E-03 -0.72647E-05 1600 0.175E-02 0.780E-03
DAV: 25 -0.445982094663E+03 -0.14913E-03 -0.16939E-05 1176 0.878E-03 0.224E-02
DAV: 26 -0.445982201227E+03 -0.10656E-03 -0.14081E-05 1168 0.618E-03 0.719E-03
DAV: 27 -0.445982228029E+03 -0.26802E-04 -0.23247E-06 944 0.396E-03 0.276E-03
DAV: 28 -0.445982257642E+03 -0.29613E-04 -0.28334E-06 1048 0.383E-03 0.402E-03
DAV: 29 -0.445982265071E+03 -0.74293E-05 -0.61589E-07 936 0.230E-03
1 F= -.44598227E+03 E0= -.44595617E+03 d E =-.782885E-01