iterations/neb0_image02_iter7_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 0.208839744989E+04 0.20884E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.140390948827E+03 -0.22288E+04 -0.21408E+04 2144 0.261E+02
DAV: 3 -0.462567217519E+03 -0.32218E+03 -0.31705E+03 1912 0.107E+02
DAV: 4 -0.475993355376E+03 -0.13426E+02 -0.13371E+02 1936 0.229E+01
DAV: 5 -0.476473505246E+03 -0.48015E+00 -0.47981E+00 2104 0.385E+00 0.433E+01
DAV: 6 -0.454591890498E+03 0.21882E+02 -0.14896E+02 2048 0.318E+01 0.408E+01
DAV: 7 -0.452955579744E+03 0.16363E+01 -0.42075E+01 1776 0.141E+01 0.219E+01
DAV: 8 -0.446073714548E+03 0.68819E+01 -0.92607E+00 1840 0.849E+00 0.133E+01
DAV: 9 -0.447560435694E+03 -0.14867E+01 -0.27478E+01 2064 0.112E+01 0.158E+01
DAV: 10 -0.446081886208E+03 0.14785E+01 -0.45270E+00 1880 0.345E+00 0.108E+01
DAV: 11 -0.445912541822E+03 0.16934E+00 -0.20294E-01 1928 0.884E-01 0.102E+01
DAV: 12 -0.445392830127E+03 0.51971E+00 -0.27175E-01 1896 0.120E+00 0.823E+00
DAV: 13 -0.444513890812E+03 0.87894E+00 -0.27884E+00 1896 0.369E+00 0.430E+00
DAV: 14 -0.444199022440E+03 0.31487E+00 -0.35815E-01 1840 0.160E+00 0.228E+00
DAV: 15 -0.444147845092E+03 0.51177E-01 -0.78790E-02 1992 0.760E-01 0.163E+00
DAV: 16 -0.444095329462E+03 0.52516E-01 -0.10978E-01 2064 0.747E-01 0.928E-01
DAV: 17 -0.444094220339E+03 0.11091E-02 -0.18020E-02 1848 0.308E-01 0.742E-01
DAV: 18 -0.444098557133E+03 -0.43368E-02 -0.19833E-02 2024 0.608E-01 0.224E+00
DAV: 19 -0.444077469519E+03 0.21088E-01 -0.89326E-03 1888 0.208E-01 0.638E-01
DAV: 20 -0.444084419316E+03 -0.69498E-02 -0.20269E-03 1928 0.116E-01 0.441E-01
DAV: 21 -0.444087634947E+03 -0.32156E-02 -0.17074E-03 1872 0.106E-01 0.660E-01
DAV: 22 -0.444086791479E+03 0.84347E-03 -0.51169E-04 1816 0.547E-02 0.260E-01
DAV: 23 -0.444088727202E+03 -0.19357E-02 -0.27995E-04 1912 0.444E-02 0.122E-01
DAV: 24 -0.444089774391E+03 -0.10472E-02 -0.11937E-04 1800 0.273E-02 0.125E-01
DAV: 25 -0.444090371801E+03 -0.59741E-03 -0.86545E-05 1912 0.341E-02 0.626E-02
DAV: 26 -0.444090945116E+03 -0.57332E-03 -0.10512E-04 1792 0.219E-02 0.260E-02
DAV: 27 -0.444091138623E+03 -0.19351E-03 -0.26389E-05 1576 0.161E-02 0.159E-02
DAV: 28 -0.444091252197E+03 -0.11357E-03 -0.58584E-05 1784 0.177E-02 0.141E-02
DAV: 29 -0.444091269961E+03 -0.17764E-04 -0.65008E-06 936 0.759E-03 0.914E-03
DAV: 30 -0.444091315202E+03 -0.45241E-04 -0.12032E-05 1240 0.836E-03 0.127E-02
DAV: 31 -0.444091335598E+03 -0.20396E-04 -0.27434E-06 1040 0.378E-03 0.182E-02
DAV: 32 -0.444091350474E+03 -0.14877E-04 -0.14068E-06 984 0.285E-03 0.573E-03
DAV: 33 -0.444091360462E+03 -0.99876E-05 -0.75611E-07 944 0.201E-03
1 F= -.44409136E+03 E0= -.44408284E+03 d E =-.255598E-01