iterations/neb0_image09_iter19_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 0.209600002398E+04 0.20960E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.141958420287E+03 -0.22380E+04 -0.21492E+04 2144 0.262E+02
DAV: 3 -0.466323937416E+03 -0.32437E+03 -0.32095E+03 1848 0.108E+02
DAV: 4 -0.479059362662E+03 -0.12735E+02 -0.12686E+02 1968 0.227E+01
DAV: 5 -0.479514225209E+03 -0.45486E+00 -0.45462E+00 2120 0.378E+00 0.427E+01
DAV: 6 -0.447273864720E+03 0.32240E+02 -0.14297E+02 2008 0.307E+01 0.270E+01
DAV: 7 -0.448851907342E+03 -0.15780E+01 -0.70172E+01 1896 0.112E+01 0.136E+01
DAV: 8 -0.446411554640E+03 0.24404E+01 -0.79141E+00 2464 0.800E+00 0.956E+00
DAV: 9 -0.446939786022E+03 -0.52823E+00 -0.20903E+01 2032 0.441E+00 0.536E+00
DAV: 10 -0.445918537524E+03 0.10212E+01 -0.85239E-01 2216 0.406E+00 0.204E+00
DAV: 11 -0.445949766015E+03 -0.31228E-01 -0.83768E-01 1888 0.146E+00 0.181E+00
DAV: 12 -0.445971946365E+03 -0.22180E-01 -0.83092E-01 1968 0.862E-01 0.296E+00
DAV: 13 -0.446060157831E+03 -0.88211E-01 -0.20389E+00 2408 0.102E+00 0.433E+00
DAV: 14 -0.445921657338E+03 0.13850E+00 -0.19918E-01 2016 0.674E-01 0.124E+00
DAV: 15 -0.445923255854E+03 -0.15985E-02 -0.85417E-02 2056 0.392E-01 0.453E-01
DAV: 16 -0.445927042008E+03 -0.37862E-02 -0.58047E-03 1832 0.193E-01 0.147E-01
DAV: 17 -0.445929585153E+03 -0.25431E-02 -0.17862E-03 2032 0.931E-02 0.478E-01
DAV: 18 -0.445931102786E+03 -0.15176E-02 -0.34894E-03 1880 0.991E-02 0.181E-01
DAV: 19 -0.445932982609E+03 -0.18798E-02 -0.71596E-04 1896 0.686E-02 0.180E-01
DAV: 20 -0.445934570326E+03 -0.15877E-02 -0.70467E-04 2072 0.649E-02 0.317E-02
DAV: 21 -0.445936318006E+03 -0.17477E-02 -0.27876E-04 1760 0.355E-02 0.392E-02
DAV: 22 -0.445937190779E+03 -0.87277E-03 -0.13012E-04 1824 0.232E-02 0.489E-02
DAV: 23 -0.445937449012E+03 -0.25823E-03 -0.62228E-05 1568 0.173E-02 0.166E-02
DAV: 24 -0.445937622693E+03 -0.17368E-03 -0.36600E-05 1520 0.137E-02 0.507E-02
DAV: 25 -0.445937683633E+03 -0.60940E-04 -0.25435E-05 1152 0.100E-02 0.655E-03
DAV: 26 -0.445937784947E+03 -0.10131E-03 -0.11114E-05 1168 0.803E-03 0.120E-02
DAV: 27 -0.445937826481E+03 -0.41533E-04 -0.55586E-06 1048 0.498E-03 0.286E-03
DAV: 28 -0.445937838470E+03 -0.11989E-04 -0.97051E-07 936 0.256E-03 0.421E-03
DAV: 29 -0.445937858418E+03 -0.19948E-04 -0.18351E-06 1000 0.363E-03 0.414E-03
DAV: 30 -0.445937865647E+03 -0.72291E-05 -0.73733E-07 936 0.182E-03
1 F= -.44593787E+03 E0= -.44591215E+03 d E =-.771338E-01