./iterations/neb0_image03_iter22_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 0.209838893915E+04 0.20984E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.137588102474E+03 -0.22360E+04 -0.21461E+04 2152 0.262E+02
DAV: 3 -0.464662220587E+03 -0.32707E+03 -0.32270E+03 1864 0.108E+02
DAV: 4 -0.477479752431E+03 -0.12818E+02 -0.12763E+02 1968 0.227E+01
DAV: 5 -0.477966396499E+03 -0.48664E+00 -0.48641E+00 2128 0.385E+00 0.433E+01
DAV: 6 -0.451146510960E+03 0.26820E+02 -0.14743E+02 2008 0.314E+01 0.413E+01
DAV: 7 -0.454432831122E+03 -0.32863E+01 -0.13650E+02 1792 0.147E+01 0.218E+01
DAV: 8 -0.447958523731E+03 0.64743E+01 -0.96599E+00 1856 0.911E+00 0.137E+01
DAV: 9 -0.446325967706E+03 0.16326E+01 -0.18029E+01 2152 0.122E+01 0.120E+01
DAV: 10 -0.445581240801E+03 0.74473E+00 -0.44379E+00 1864 0.376E+00 0.110E+01
DAV: 11 -0.444984856103E+03 0.59638E+00 -0.47712E-01 2048 0.198E+00 0.979E+00
DAV: 12 -0.444791365824E+03 0.19349E+00 -0.10026E+01 2112 0.396E+00 0.967E+00
DAV: 13 -0.444208744685E+03 0.58262E+00 -0.77388E-01 1960 0.342E+00 0.642E+00
DAV: 14 -0.443992823436E+03 0.21592E+00 -0.28606E+00 1864 0.145E+00 0.483E+00
DAV: 15 -0.443965531437E+03 0.27292E-01 -0.94300E-01 1960 0.883E-01 0.201E+00
DAV: 16 -0.443976014790E+03 -0.10483E-01 -0.27952E-02 1872 0.498E-01 0.180E+00
DAV: 17 -0.443972842429E+03 0.31724E-02 -0.11771E-02 1840 0.282E-01 0.426E-01
DAV: 18 -0.443980301086E+03 -0.74587E-02 -0.49530E-03 1920 0.158E-01 0.573E-01
DAV: 19 -0.443979403116E+03 0.89797E-03 -0.11631E-03 1928 0.821E-02 0.918E-02
DAV: 20 -0.443983782519E+03 -0.43794E-02 -0.73017E-04 1840 0.569E-02 0.178E-01
DAV: 21 -0.443985740910E+03 -0.19584E-02 -0.39807E-04 1848 0.596E-02 0.347E-01
DAV: 22 -0.443986268740E+03 -0.52783E-03 -0.35407E-04 1888 0.627E-02 0.105E-01
DAV: 23 -0.443987746765E+03 -0.14780E-02 -0.19665E-04 1744 0.282E-02 0.214E-02
DAV: 24 -0.443988142418E+03 -0.39565E-03 -0.85087E-05 1768 0.219E-02 0.128E-02
DAV: 25 -0.443988326100E+03 -0.18368E-03 -0.27260E-05 1408 0.149E-02 0.297E-02
DAV: 26 -0.443988404177E+03 -0.78076E-04 -0.17564E-05 1168 0.101E-02 0.351E-02
DAV: 27 -0.443988449641E+03 -0.45464E-04 -0.54013E-06 1160 0.872E-03 0.240E-02
DAV: 28 -0.443988468009E+03 -0.18368E-04 -0.72513E-06 944 0.783E-03 0.856E-03
DAV: 29 -0.443988492002E+03 -0.23993E-04 -0.22865E-06 984 0.457E-03 0.791E-03
DAV: 30 -0.443988503562E+03 -0.11560E-04 -0.19162E-06 936 0.368E-03 0.499E-03
DAV: 31 -0.443988505688E+03 -0.21258E-05 -0.41031E-07 936 0.182E-03
1 F= -.44398851E+03 E0= -.44397352E+03 d E =-.449656E-01