iterations/neb0_image09_iter26_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 0.209809686853E+04 0.20981E+04 -0.11613E+05 1704 0.105E+03
DAV: 2 -0.142586859612E+03 -0.22407E+04 -0.21511E+04 2160 0.262E+02
DAV: 3 -0.466516456488E+03 -0.32393E+03 -0.32057E+03 1840 0.108E+02
DAV: 4 -0.479269998273E+03 -0.12754E+02 -0.12706E+02 1968 0.227E+01
DAV: 5 -0.479728493440E+03 -0.45850E+00 -0.45828E+00 2144 0.378E+00 0.428E+01
DAV: 6 -0.447132103543E+03 0.32596E+02 -0.14301E+02 2016 0.310E+01 0.272E+01
DAV: 7 -0.448935343480E+03 -0.18032E+01 -0.72680E+01 1896 0.111E+01 0.136E+01
DAV: 8 -0.446289087092E+03 0.26463E+01 -0.78411E+00 2472 0.799E+00 0.911E+00
DAV: 9 -0.446865238435E+03 -0.57615E+00 -0.18145E+01 1984 0.415E+00 0.513E+00
DAV: 10 -0.445916000447E+03 0.94924E+00 -0.74344E-01 2224 0.397E+00 0.247E+00
DAV: 11 -0.445985013852E+03 -0.69013E-01 -0.14093E+00 1896 0.150E+00 0.321E+00
DAV: 12 -0.445978912923E+03 0.61009E-02 -0.18756E+00 2016 0.112E+00 0.356E+00
DAV: 13 -0.446018285607E+03 -0.39373E-01 -0.21307E+00 2280 0.105E+00 0.399E+00
DAV: 14 -0.445901776485E+03 0.11651E+00 -0.26451E-01 2016 0.694E-01 0.637E-01
DAV: 15 -0.445908904722E+03 -0.71282E-02 -0.31832E-02 1952 0.309E-01 0.228E-01
DAV: 16 -0.445911374160E+03 -0.24694E-02 -0.36447E-03 1864 0.146E-01 0.241E-01
DAV: 17 -0.445913580516E+03 -0.22064E-02 -0.14009E-03 2056 0.874E-02 0.371E-01
DAV: 18 -0.445915094177E+03 -0.15137E-02 -0.20994E-03 1960 0.765E-02 0.189E-01
DAV: 19 -0.445917776483E+03 -0.26823E-02 -0.12315E-03 1856 0.914E-02 0.142E-01
DAV: 20 -0.445919813561E+03 -0.20371E-02 -0.95330E-04 1800 0.537E-02 0.106E-01
DAV: 21 -0.445920809416E+03 -0.99585E-03 -0.30824E-04 1792 0.344E-02 0.323E-02
DAV: 22 -0.445921421004E+03 -0.61159E-03 -0.21857E-04 2008 0.337E-02 0.756E-02
DAV: 23 -0.445921578311E+03 -0.15731E-03 -0.37029E-05 1448 0.145E-02 0.370E-02
DAV: 24 -0.445921744445E+03 -0.16613E-03 -0.53000E-05 1696 0.173E-02 0.132E-02
DAV: 25 -0.445921867606E+03 -0.12316E-03 -0.16612E-05 1176 0.977E-03 0.251E-02
DAV: 26 -0.445921924987E+03 -0.57381E-04 -0.89546E-06 1104 0.726E-03 0.941E-03
DAV: 27 -0.445921942489E+03 -0.17501E-04 -0.25563E-06 936 0.377E-03 0.462E-03
DAV: 28 -0.445921974015E+03 -0.31527E-04 -0.39837E-06 1016 0.714E-03 0.386E-03
DAV: 29 -0.445921987287E+03 -0.13271E-04 -0.25926E-06 936 0.367E-03 0.851E-03
DAV: 30 -0.445921992923E+03 -0.56363E-05 -0.67260E-07 936 0.259E-03
1 F= -.44592199E+03 E0= -.44589565E+03 d E =-.790415E-01