iterations/neb0_image02_iter16_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 0.208931191810E+04 0.20893E+04 -0.11608E+05 1704 0.105E+03
DAV: 2 -0.142101617816E+03 -0.22314E+04 -0.21442E+04 2152 0.261E+02
DAV: 3 -0.462717938445E+03 -0.32062E+03 -0.31573E+03 1904 0.107E+02
DAV: 4 -0.476132061392E+03 -0.13414E+02 -0.13356E+02 1936 0.229E+01
DAV: 5 -0.476607887158E+03 -0.47583E+00 -0.47547E+00 2104 0.383E+00 0.433E+01
DAV: 6 -0.455194051336E+03 0.21414E+02 -0.14912E+02 2032 0.320E+01 0.408E+01
DAV: 7 -0.452949464101E+03 0.22446E+01 -0.42560E+01 1784 0.142E+01 0.220E+01
DAV: 8 -0.446019989996E+03 0.69295E+01 -0.94471E+00 1832 0.838E+00 0.133E+01
DAV: 9 -0.448040324120E+03 -0.20203E+01 -0.30030E+01 2080 0.109E+01 0.188E+01
DAV: 10 -0.445999285271E+03 0.20410E+01 -0.13679E+01 1856 0.371E+00 0.104E+01
DAV: 11 -0.445876066777E+03 0.12322E+00 -0.25385E-01 1944 0.916E-01 0.970E+00
DAV: 12 -0.445884774526E+03 -0.87077E-02 -0.22270E-02 2056 0.471E-01 0.974E+00
DAV: 13 -0.445962241108E+03 -0.77467E-01 -0.11058E+00 2000 0.284E+00 0.115E+01
DAV: 14 -0.445612866628E+03 0.34937E+00 -0.11803E+00 1856 0.268E+00 0.104E+01
DAV: 15 -0.445099984983E+03 0.51288E+00 -0.28012E-01 1832 0.131E+00 0.498E+00
DAV: 16 -0.445085704882E+03 0.14280E-01 -0.86146E-02 1920 0.742E-01 0.448E+00
DAV: 17 -0.444763619056E+03 0.32209E+00 -0.96363E-02 2088 0.998E-01 0.367E+00
DAV: 18 -0.444480260653E+03 0.28336E+00 -0.78792E-02 2048 0.951E-01 0.330E+00
DAV: 19 -0.444486741400E+03 -0.64807E-02 -0.30352E-02 1856 0.318E-01 0.328E+00
DAV: 20 -0.444495981047E+03 -0.92396E-02 -0.71375E-04 2424 0.607E-02 0.331E+00
DAV: 21 -0.444344861507E+03 0.15112E+00 -0.26268E-02 2496 0.680E-01 0.195E+00
DAV: 22 -0.444310282610E+03 0.34579E-01 -0.18434E-02 1944 0.468E-01 0.154E+00
DAV: 23 -0.444276399711E+03 0.33883E-01 -0.24413E-01 2176 0.781E-01 0.240E+00
DAV: 24 -0.444244299146E+03 0.32101E-01 -0.19144E-02 1872 0.270E-01 0.126E+00
DAV: 25 -0.444248899305E+03 -0.46002E-02 -0.10668E-02 1936 0.259E-01 0.363E-01
DAV: 26 -0.444253853071E+03 -0.49538E-02 -0.11684E-02 1904 0.304E-01 0.677E-01
DAV: 27 -0.444255665358E+03 -0.18123E-02 -0.49429E-03 2120 0.276E-01 0.661E-01
DAV: 28 -0.444260141239E+03 -0.44759E-02 -0.66155E-03 1864 0.173E-01 0.496E-01
DAV: 29 -0.444260752095E+03 -0.61086E-03 -0.42218E-04 1912 0.587E-02 0.490E-01
DAV: 30 -0.444259455958E+03 0.12961E-02 -0.63696E-04 2056 0.983E-02 0.503E-01
DAV: 31 -0.444256188115E+03 0.32678E-02 -0.11866E-03 2176 0.147E-01 0.803E-02
DAV: 32 -0.444258060011E+03 -0.18719E-02 -0.66528E-04 1888 0.519E-02 0.166E-01
DAV: 33 -0.444258114816E+03 -0.54805E-04 -0.82737E-05 2024 0.199E-02 0.177E-01
DAV: 34 -0.444258232940E+03 -0.11812E-03 -0.47845E-05 1528 0.187E-02 0.736E-02
DAV: 35 -0.444258773661E+03 -0.54072E-03 -0.13849E-04 1888 0.437E-02 0.142E-01
DAV: 36 -0.444258842179E+03 -0.68519E-04 -0.82999E-05 1808 0.242E-02 0.483E-02
DAV: 37 -0.444258980155E+03 -0.13798E-03 -0.50729E-05 1624 0.159E-02 0.436E-02
DAV: 38 -0.444259003770E+03 -0.23616E-04 -0.14147E-05 1296 0.101E-02 0.339E-02
DAV: 39 -0.444259033651E+03 -0.29880E-04 -0.61283E-06 1168 0.623E-03 0.337E-02
DAV: 40 -0.444259043959E+03 -0.10308E-04 -0.47415E-06 1192 0.701E-03 0.283E-02
DAV: 41 -0.444259048007E+03 -0.40480E-05 -0.27813E-06 912 0.497E-03
1 F= -.44425905E+03 E0= -.44425154E+03 d E =-.225248E-01