iterations/neb0_image03_iter2_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 0.210223373950E+04 0.21022E+04 -0.11605E+05 1696 0.105E+03
DAV: 2 -0.138561019662E+03 -0.22408E+04 -0.21529E+04 2160 0.262E+02
DAV: 3 -0.464134797400E+03 -0.32557E+03 -0.32151E+03 1880 0.107E+02
DAV: 4 -0.476810004244E+03 -0.12675E+02 -0.12632E+02 1992 0.226E+01
DAV: 5 -0.477240787679E+03 -0.43078E+00 -0.43057E+00 2096 0.369E+00 0.435E+01
DAV: 6 -0.448607994660E+03 0.28633E+02 -0.14780E+02 2024 0.319E+01 0.410E+01
DAV: 7 -0.453676091669E+03 -0.50681E+01 -0.18811E+02 1816 0.154E+01 0.218E+01
DAV: 8 -0.447264864126E+03 0.64112E+01 -0.10137E+01 1848 0.921E+00 0.136E+01
DAV: 9 -0.444632861410E+03 0.26320E+01 -0.17877E+01 2104 0.123E+01 0.119E+01
DAV: 10 -0.443849819465E+03 0.78304E+00 -0.40193E+00 1896 0.378E+00 0.108E+01
DAV: 11 -0.443232904564E+03 0.61691E+00 -0.43177E-01 2072 0.207E+00 0.982E+00
DAV: 12 -0.444435942510E+03 -0.12030E+01 -0.25421E+01 2232 0.467E+00 0.997E+00
DAV: 13 -0.442802193581E+03 0.16337E+01 -0.12640E+00 1992 0.345E+00 0.808E+00
DAV: 14 -0.442649261955E+03 0.15293E+00 -0.35104E-01 1848 0.962E-01 0.625E+00
DAV: 15 -0.442674216691E+03 -0.24955E-01 -0.25258E-02 1960 0.273E-01 0.676E+00
DAV: 16 -0.442559129607E+03 0.11509E+00 -0.66095E-01 2088 0.105E+00 0.242E+00
DAV: 17 -0.442837627329E+03 -0.27850E+00 -0.99676E-01 1904 0.827E-01 0.847E+00
DAV: 18 -0.442591305237E+03 0.24632E+00 -0.18843E+00 2192 0.835E-01 0.318E+00
DAV: 19 -0.442675976272E+03 -0.84671E-01 -0.42813E-02 1912 0.533E-01 0.228E+00
DAV: 20 -0.442651992499E+03 0.23984E-01 -0.78690E-02 1936 0.404E-01 0.122E+00
DAV: 21 -0.442675102085E+03 -0.23110E-01 -0.33103E-02 1880 0.233E-01 0.109E+00
DAV: 22 -0.442674036988E+03 0.10651E-02 -0.97975E-03 1936 0.220E-01 0.145E+00
DAV: 23 -0.442665680265E+03 0.83567E-02 -0.80896E-03 1976 0.145E-01 0.552E-01
DAV: 24 -0.442675074085E+03 -0.93938E-02 -0.13034E-03 1800 0.781E-02 0.613E-01
DAV: 25 -0.442677892694E+03 -0.28186E-02 -0.56048E-03 1912 0.844E-02 0.292E-01
DAV: 26 -0.442681187583E+03 -0.32949E-02 -0.68923E-04 1904 0.610E-02 0.135E-01
DAV: 27 -0.442681724158E+03 -0.53658E-03 -0.18489E-04 1888 0.262E-02 0.245E-01
DAV: 28 -0.442681518748E+03 0.20541E-03 -0.96891E-05 1784 0.241E-02 0.206E-01
DAV: 29 -0.442681952835E+03 -0.43409E-03 -0.38826E-04 1648 0.286E-02 0.390E-02
DAV: 30 -0.442682486148E+03 -0.53331E-03 -0.10412E-04 1560 0.186E-02 0.672E-02
DAV: 31 -0.442682526003E+03 -0.39855E-04 -0.20021E-05 1120 0.844E-03 0.971E-02
DAV: 32 -0.442682606632E+03 -0.80630E-04 -0.83351E-05 1272 0.134E-02 0.163E-02
DAV: 33 -0.442682729844E+03 -0.12321E-03 -0.15878E-05 1264 0.912E-03 0.259E-02
DAV: 34 -0.442682746820E+03 -0.16976E-04 -0.48031E-06 952 0.373E-03 0.117E-02
DAV: 35 -0.442682762589E+03 -0.15769E-04 -0.23240E-06 976 0.354E-03 0.383E-03
DAV: 36 -0.442682768016E+03 -0.54275E-05 -0.11498E-06 912 0.278E-03
1 F= -.44268277E+03 E0= -.44266794E+03 d E =-.444848E-01