iterations/neb0_image05_iter9_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 0.209177956846E+04 0.20918E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.137997479726E+03 -0.22298E+04 -0.21383E+04 2136 0.261E+02
DAV: 3 -0.463055676061E+03 -0.32506E+03 -0.32018E+03 1880 0.107E+02
DAV: 4 -0.476085406944E+03 -0.13030E+02 -0.12979E+02 1992 0.227E+01
DAV: 5 -0.476532190444E+03 -0.44678E+00 -0.44655E+00 2128 0.372E+00 0.429E+01
DAV: 6 -0.448570486609E+03 0.27962E+02 -0.14966E+02 2056 0.322E+01 0.341E+01
DAV: 7 -0.450182538101E+03 -0.16121E+01 -0.15794E+02 1952 0.164E+01 0.191E+01
DAV: 8 -0.445285746922E+03 0.48968E+01 -0.97268E+00 1952 0.108E+01 0.116E+01
DAV: 9 -0.444902655778E+03 0.38309E+00 -0.24881E+01 2048 0.834E+00 0.840E+00
DAV: 10 -0.445557632092E+03 -0.65498E+00 -0.13000E+01 2008 0.562E+00 0.106E+01
DAV: 11 -0.445186003218E+03 0.37163E+00 -0.88466E-01 1832 0.170E+00 0.987E+00
DAV: 12 -0.444428773771E+03 0.75723E+00 -0.50662E-01 2232 0.168E+00 0.695E+00
DAV: 13 -0.445216222907E+03 -0.78745E+00 -0.15124E+01 2032 0.458E+00 0.107E+01
DAV: 14 -0.444330738487E+03 0.88548E+00 -0.87961E-01 1920 0.207E+00 0.720E+00
DAV: 15 -0.444098032431E+03 0.23271E+00 -0.19154E+00 2056 0.158E+00 0.240E+00
DAV: 16 -0.444091605059E+03 0.64274E-02 -0.13679E-01 1904 0.911E-01 0.123E+00
DAV: 17 -0.444087703770E+03 0.39013E-02 -0.52945E-02 1960 0.463E-01 0.785E-01
DAV: 18 -0.444087714291E+03 -0.10521E-04 -0.91947E-03 2232 0.220E-01 0.705E-01
DAV: 19 -0.444088602422E+03 -0.88813E-03 -0.92875E-03 1952 0.258E-01 0.440E-01
DAV: 20 -0.444089248754E+03 -0.64633E-03 -0.57564E-03 2024 0.158E-01 0.214E-01
DAV: 21 -0.444089863979E+03 -0.61523E-03 -0.61700E-04 1952 0.562E-02 0.173E-01
DAV: 22 -0.444090996268E+03 -0.11323E-02 -0.80452E-04 2144 0.750E-02 0.898E-02
DAV: 23 -0.444092481039E+03 -0.14848E-02 -0.11472E-03 2352 0.790E-02 0.799E-02
DAV: 24 -0.444092766465E+03 -0.28543E-03 -0.38727E-04 1840 0.397E-02 0.105E-01
DAV: 25 -0.444092891051E+03 -0.12459E-03 -0.87877E-05 1592 0.209E-02 0.116E-01
DAV: 26 -0.444093789153E+03 -0.89810E-03 -0.57877E-04 2120 0.519E-02 0.118E-01
DAV: 27 -0.444094435705E+03 -0.64655E-03 -0.78400E-04 2136 0.508E-02 0.154E-01
DAV: 28 -0.444094798321E+03 -0.36262E-03 -0.51001E-04 1944 0.499E-02 0.164E-01
DAV: 29 -0.444095453092E+03 -0.65477E-03 -0.78919E-04 2160 0.622E-02 0.215E-01
DAV: 30 -0.444095150276E+03 0.30282E-03 -0.92082E-04 1992 0.609E-02 0.127E-01
DAV: 31 -0.444095168927E+03 -0.18651E-04 -0.10119E-03 2224 0.664E-02 0.774E-02
DAV: 32 -0.444095127184E+03 0.41743E-04 -0.22437E-04 1920 0.347E-02 0.834E-02
DAV: 33 -0.444094935318E+03 0.19187E-03 -0.58864E-04 1984 0.487E-02 0.935E-02
DAV: 34 -0.444094402238E+03 0.53308E-03 -0.81470E-04 2224 0.520E-02 0.163E-01
DAV: 35 -0.444094687728E+03 -0.28549E-03 -0.63965E-04 1880 0.452E-02 0.880E-02
DAV: 36 -0.444095142953E+03 -0.45522E-03 -0.10490E-03 2080 0.588E-02 0.675E-02
DAV: 37 -0.444095562901E+03 -0.41995E-03 -0.51481E-04 2120 0.466E-02 0.793E-02
DAV: 38 -0.444096186683E+03 -0.62378E-03 -0.11242E-03 2144 0.769E-02 0.132E-01
DAV: 39 -0.444096992454E+03 -0.80577E-03 -0.10352E-03 2192 0.664E-02 0.195E-01
DAV: 40 -0.444096910914E+03 0.81540E-04 -0.19198E-04 1616 0.220E-02 0.190E-01
DAV: 41 -0.444096504803E+03 0.40611E-03 -0.24390E-04 1784 0.331E-02 0.158E-01
DAV: 42 -0.444096402410E+03 0.10239E-03 -0.71299E-05 1480 0.144E-02 0.146E-01
DAV: 43 -0.444096075950E+03 0.32646E-03 -0.23708E-04 1760 0.339E-02 0.114E-01
DAV: 44 -0.444095244522E+03 0.83143E-03 -0.26014E-03 2288 0.119E-01 0.809E-02
DAV: 45 -0.444094985364E+03 0.25916E-03 -0.11534E-03 1936 0.552E-02 0.105E-01
DAV: 46 -0.444094820163E+03 0.16520E-03 -0.12075E-04 1544 0.197E-02 0.118E-01
DAV: 47 -0.444094686186E+03 0.13398E-03 -0.15722E-05 1096 0.751E-03 0.127E-01
DAV: 48 -0.444094600185E+03 0.86001E-04 -0.68678E-06 1040 0.517E-03 0.133E-01
DAV: 49 -0.444094629381E+03 -0.29196E-04 -0.11631E-05 1088 0.625E-03 0.122E-01
DAV: 50 -0.444094923441E+03 -0.29406E-03 -0.54384E-04 1728 0.429E-02 0.745E-02
DAV: 51 -0.444095347762E+03 -0.42432E-03 -0.91428E-04 2192 0.569E-02 0.648E-02
DAV: 52 -0.444095973606E+03 -0.62584E-03 -0.15505E-03 2240 0.849E-02 0.113E-01
DAV: 53 -0.444096601734E+03 -0.62813E-03 -0.85592E-04 1872 0.570E-02 0.165E-01
DAV: 54 -0.444097615319E+03 -0.10136E-02 -0.87228E-04 2216 0.678E-02 0.234E-01
DAV: 55 -0.444097981365E+03 -0.36605E-03 -0.27399E-04 1728 0.286E-02 0.259E-01
DAV: 56 -0.444098779068E+03 -0.79770E-03 -0.28415E-04 1816 0.404E-02 0.299E-01
DAV: 57 -0.444098775808E+03 0.32606E-05 -0.58659E-05 1388 0.110E-02
1 F= -.44409878E+03 E0= -.44409178E+03 d E =-.209756E-01