iterations/neb0_image07_iter23_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 0.209884576467E+04 0.20988E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.138621402350E+03 -0.22375E+04 -0.21490E+04 2152 0.262E+02
DAV: 3 -0.464441168256E+03 -0.32582E+03 -0.32121E+03 1872 0.107E+02
DAV: 4 -0.477438548361E+03 -0.12997E+02 -0.12950E+02 1960 0.228E+01
DAV: 5 -0.477917296978E+03 -0.47875E+00 -0.47847E+00 2112 0.384E+00 0.428E+01
DAV: 6 -0.448068270365E+03 0.29849E+02 -0.14767E+02 2032 0.317E+01 0.270E+01
DAV: 7 -0.445610187845E+03 0.24581E+01 -0.24271E+01 1840 0.115E+01 0.123E+01
DAV: 8 -0.446229057247E+03 -0.61887E+00 -0.12667E+01 2184 0.671E+00 0.842E+00
DAV: 9 -0.445213974604E+03 0.10151E+01 -0.51244E+00 2064 0.456E+00 0.610E+00
DAV: 10 -0.445596425180E+03 -0.38245E+00 -0.87206E+00 2280 0.417E+00 0.488E+00
DAV: 11 -0.445068782132E+03 0.52764E+00 -0.49813E-01 1968 0.209E+00 0.221E+00
DAV: 12 -0.445048911448E+03 0.19871E-01 -0.23908E-01 2000 0.126E+00 0.144E+00
DAV: 13 -0.445052406947E+03 -0.34955E-02 -0.46387E-02 1872 0.498E-01 0.624E-01
DAV: 14 -0.445092737506E+03 -0.40331E-01 -0.18846E-01 2112 0.436E-01 0.284E+00
DAV: 15 -0.445047541800E+03 0.45196E-01 -0.20417E-01 2328 0.491E-01 0.367E-01
DAV: 16 -0.445061698911E+03 -0.14157E-01 -0.17789E-02 1880 0.293E-01 0.657E-01
DAV: 17 -0.445059879407E+03 0.18195E-02 -0.27451E-03 1944 0.168E-01 0.258E-01
DAV: 18 -0.445060450359E+03 -0.57095E-03 -0.33772E-03 1856 0.132E-01 0.173E-01
DAV: 19 -0.445061825731E+03 -0.13754E-02 -0.85058E-04 1976 0.732E-02 0.200E-01
DAV: 20 -0.445064006368E+03 -0.21806E-02 -0.48131E-04 1800 0.549E-02 0.646E-02
DAV: 21 -0.445065394267E+03 -0.13879E-02 -0.25440E-04 2008 0.422E-02 0.585E-02
DAV: 22 -0.445066627059E+03 -0.12328E-02 -0.24541E-04 1864 0.366E-02 0.305E-02
DAV: 23 -0.445067092043E+03 -0.46498E-03 -0.73851E-05 1728 0.234E-02 0.258E-02
DAV: 24 -0.445067417238E+03 -0.32520E-03 -0.68725E-05 1792 0.185E-02 0.198E-02
DAV: 25 -0.445067535774E+03 -0.11854E-03 -0.21287E-05 1432 0.154E-02 0.757E-03
DAV: 26 -0.445067570648E+03 -0.34874E-04 -0.12686E-05 960 0.836E-03 0.814E-03
DAV: 27 -0.445067635034E+03 -0.64385E-04 -0.54794E-06 1128 0.680E-03 0.151E-02
DAV: 28 -0.445067653353E+03 -0.18319E-04 -0.44855E-06 976 0.575E-03 0.599E-03
DAV: 29 -0.445067661663E+03 -0.83106E-05 -0.21363E-06 936 0.351E-03
1 F= -.44506766E+03 E0= -.44505143E+03 d E =-.486939E-01