iterations/neb0_image05_iter1_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 0.210065379626E+04 0.21007E+04 -0.11616E+05 1704 0.105E+03
DAV: 2 -0.137254443863E+03 -0.22379E+04 -0.21472E+04 2152 0.262E+02
DAV: 3 -0.462409253873E+03 -0.32515E+03 -0.32053E+03 1872 0.108E+02
DAV: 4 -0.475165548906E+03 -0.12756E+02 -0.12702E+02 1952 0.227E+01
DAV: 5 -0.475667890113E+03 -0.50234E+00 -0.50206E+00 2120 0.389E+00 0.436E+01
DAV: 6 -0.445156134699E+03 0.30512E+02 -0.15030E+02 2080 0.320E+01 0.291E+01
DAV: 7 -0.444076488875E+03 0.10796E+01 -0.50686E+01 1848 0.133E+01 0.156E+01
DAV: 8 -0.442955211979E+03 0.11213E+01 -0.66017E+00 2224 0.114E+01 0.982E+00
DAV: 9 -0.442046740643E+03 0.90847E+00 -0.62117E+00 2024 0.515E+00 0.131E+01
DAV: 10 -0.442100234242E+03 -0.53494E-01 -0.20474E+01 1960 0.249E+00 0.788E+00
DAV: 11 -0.441896718059E+03 0.20352E+00 -0.57379E+00 2232 0.304E+00 0.541E+00
DAV: 12 -0.441953765786E+03 -0.57048E-01 -0.48178E+00 2224 0.275E+00 0.542E+00
DAV: 13 -0.441691442440E+03 0.26232E+00 -0.24076E+00 2240 0.192E+00 0.295E+00
DAV: 14 -0.441644671937E+03 0.46771E-01 -0.50458E-01 1952 0.970E-01 0.197E+00
DAV: 15 -0.441625497254E+03 0.19175E-01 -0.45370E-02 1880 0.360E-01 0.129E+00
DAV: 16 -0.441607306105E+03 0.18191E-01 -0.11748E-02 1992 0.202E-01 0.137E+00
DAV: 17 -0.441585246668E+03 0.22059E-01 -0.58845E-03 2128 0.122E-01 0.172E+00
DAV: 18 -0.441582677712E+03 0.25690E-02 -0.11400E-03 1968 0.624E-02 0.178E+00
DAV: 19 -0.441598917860E+03 -0.16240E-01 -0.41721E-03 2240 0.174E-01 0.135E+00
DAV: 20 -0.441648082688E+03 -0.49165E-01 -0.28966E-02 2128 0.323E-01 0.140E+00
DAV: 21 -0.441707092010E+03 -0.59009E-01 -0.34223E-02 2056 0.309E-01 0.195E+00
DAV: 22 -0.441701682989E+03 0.54090E-02 -0.35973E-03 1808 0.103E-01 0.194E+00
DAV: 23 -0.441693654718E+03 0.80283E-02 -0.52599E-04 1880 0.425E-02 0.188E+00
DAV: 24 -0.441679085727E+03 0.14569E-01 -0.20406E-03 2056 0.908E-02 0.173E+00
DAV: 25 -0.441626381284E+03 0.52704E-01 -0.31949E-02 2328 0.380E-01 0.143E+00
DAV: 26 -0.441579284233E+03 0.47097E-01 -0.72455E-02 2048 0.400E-01 0.158E+00
DAV: 27 -0.441570568282E+03 0.87160E-02 -0.10268E-02 1808 0.157E-01 0.217E+00
DAV: 28 -0.441558202764E+03 0.12366E-01 -0.46804E-04 1888 0.361E-02 0.201E+00
DAV: 29 -0.441557008300E+03 0.11945E-02 -0.15417E-04 1600 0.187E-02 0.197E+00
DAV: 30 -0.441561480648E+03 -0.44723E-02 -0.53475E-03 1808 0.285E-02 0.279E+00
DAV: 31 -0.441548840766E+03 0.12640E-01 -0.31839E-03 1832 0.405E-02 0.216E+00
DAV: 32 -0.441565403603E+03 -0.16563E-01 -0.22121E-02 2040 0.578E-02 0.383E+00
DAV: 33 -0.441532195754E+03 0.33208E-01 -0.58605E-02 2080 0.104E-01 0.125E+00
DAV: 34 -0.441558015061E+03 -0.25819E-01 -0.42423E-03 1784 0.875E-02 0.982E-01
DAV: 35 -0.441567921656E+03 -0.99066E-02 -0.16969E-02 2032 0.903E-02 0.188E+00
DAV: 36 -0.441566175697E+03 0.17460E-02 -0.35212E-03 1856 0.620E-02 0.247E+00
DAV: 37 -0.441573850219E+03 -0.76745E-02 -0.13590E-02 2064 0.634E-02 0.400E+00
DAV: 38 -0.441554083736E+03 0.19766E-01 -0.12288E-03 1696 0.570E-02 0.366E+00
DAV: 39 -0.441569330256E+03 -0.15247E-01 -0.93417E-03 1960 0.748E-02 0.488E+00
DAV: 40 -0.441567368031E+03 0.19622E-02 -0.26609E-03 1712 0.541E-02 0.552E+00
DAV: 41 -0.441569507977E+03 -0.21399E-02 -0.64135E-03 1872 0.415E-02 0.643E+00
DAV: 42 -0.441553966625E+03 0.15541E-01 -0.13747E-04 1696 0.359E-02 0.641E+00
DAV: 43 -0.441567167970E+03 -0.13201E-01 -0.71491E-03 1592 0.266E-02 0.733E+00
DAV: 44 -0.441491533413E+03 0.75635E-01 -0.16321E-01 2240 0.144E-01 0.223E+00
DAV: 45 -0.441550281747E+03 -0.58748E-01 -0.23538E-02 1800 0.182E-01 0.477E-01
DAV: 46 -0.441572267744E+03 -0.21986E-01 -0.36836E-03 1936 0.120E-01 0.423E-01
DAV: 47 -0.441577994696E+03 -0.57270E-02 -0.11149E-02 1928 0.567E-02 0.165E+00
DAV: 48 -0.441572858792E+03 0.51359E-02 -0.42546E-02 2192 0.119E-01 0.123E+00
DAV: 49 -0.441579627802E+03 -0.67690E-02 -0.12944E-03 1744 0.861E-02 0.150E+00
DAV: 50 -0.441574299058E+03 0.53287E-02 -0.98105E-04 1848 0.489E-02 0.123E+00
DAV: 51 -0.441575855981E+03 -0.15569E-02 -0.16480E-04 1632 0.227E-02 0.132E+00
DAV: 52 -0.441573337766E+03 0.25182E-02 -0.60768E-04 1792 0.271E-02 0.101E+00
DAV: 53 -0.441573863288E+03 -0.52552E-03 -0.33198E-04 1728 0.212E-02 0.767E-01
DAV: 54 -0.441574508493E+03 -0.64521E-03 -0.48606E-04 1496 0.164E-02 0.449E-01
DAV: 55 -0.441575668548E+03 -0.11601E-02 -0.11248E-03 1632 0.233E-02 0.891E-02
DAV: 56 -0.441576949231E+03 -0.12807E-02 -0.55734E-04 1544 0.259E-02 0.334E-01
DAV: 57 -0.441576435297E+03 0.51393E-03 -0.34964E-04 1248 0.169E-02 0.125E-01
DAV: 58 -0.441576713418E+03 -0.27812E-03 -0.87925E-06 968 0.524E-03 0.149E-01
DAV: 59 -0.441576712011E+03 0.14075E-05 -0.10834E-04 1088 0.530E-03 0.621E-02
DAV: 60 -0.441576834050E+03 -0.12204E-03 -0.54491E-06 968 0.540E-03 0.492E-02
DAV: 61 -0.441576884107E+03 -0.50057E-04 -0.19187E-05 888 0.339E-03 0.622E-02
DAV: 62 -0.441576913093E+03 -0.28986E-04 -0.48514E-06 904 0.378E-03 0.805E-02
DAV: 63 -0.441576928522E+03 -0.15429E-04 -0.18573E-05 904 0.283E-03 0.126E-01
DAV: 64 -0.441576890120E+03 0.38402E-04 -0.27281E-06 912 0.357E-03 0.109E-01
DAV: 65 -0.441576898024E+03 -0.79037E-05 -0.15035E-06 864 0.171E-03
1 F= -.44157690E+03 E0= -.44157044E+03 d E =-.193877E-01