iterations/neb0_image04_iter49_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 0.208804069963E+04 0.20880E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.141470085759E+03 -0.22295E+04 -0.21389E+04 2136 0.261E+02
DAV: 3 -0.465896727725E+03 -0.32443E+03 -0.32098E+03 1864 0.107E+02
DAV: 4 -0.478237766819E+03 -0.12341E+02 -0.12292E+02 1952 0.224E+01
DAV: 5 -0.478700882803E+03 -0.46312E+00 -0.46286E+00 2128 0.377E+00 0.429E+01
DAV: 6 -0.447807482657E+03 0.30893E+02 -0.14641E+02 2016 0.317E+01 0.381E+01
DAV: 7 -0.454350689176E+03 -0.65432E+01 -0.29292E+02 1904 0.140E+01 0.209E+01
DAV: 8 -0.448266979815E+03 0.60837E+01 -0.87797E+00 1800 0.782E+00 0.128E+01
DAV: 9 -0.446272904482E+03 0.19941E+01 -0.23692E+01 2016 0.121E+01 0.953E+00
DAV: 10 -0.445540799747E+03 0.73210E+00 -0.46593E+00 1896 0.378E+00 0.104E+01
DAV: 11 -0.444800947951E+03 0.73985E+00 -0.84922E-01 1976 0.188E+00 0.697E+00
DAV: 12 -0.445023361581E+03 -0.22241E+00 -0.92802E+00 2216 0.358E+00 0.709E+00
DAV: 13 -0.444540810732E+03 0.48255E+00 -0.96067E-01 2096 0.328E+00 0.683E+00
DAV: 14 -0.444203118874E+03 0.33769E+00 -0.20541E+00 1880 0.139E+00 0.160E+00
DAV: 15 -0.444278237238E+03 -0.75118E-01 -0.22980E-01 1888 0.708E-01 0.252E+00
DAV: 16 -0.444306512103E+03 -0.28275E-01 -0.10830E-01 2080 0.472E-01 0.438E+00
DAV: 17 -0.444206425776E+03 0.10009E+00 -0.59513E-01 2088 0.667E-01 0.651E-01
DAV: 18 -0.444267205667E+03 -0.60780E-01 -0.75286E-02 1936 0.506E-01 0.201E+00
DAV: 19 -0.444238457071E+03 0.28749E-01 -0.19914E-02 1944 0.354E-01 0.105E+00
DAV: 20 -0.444243362429E+03 -0.49054E-02 -0.56847E-02 1952 0.270E-01 0.289E-01
DAV: 21 -0.444246311877E+03 -0.29494E-02 -0.33290E-03 1888 0.115E-01 0.279E-01
DAV: 22 -0.444247843203E+03 -0.15313E-02 -0.12790E-03 1960 0.923E-02 0.280E-01
DAV: 23 -0.444251067760E+03 -0.32246E-02 -0.31698E-03 1936 0.945E-02 0.251E-01
DAV: 24 -0.444252639027E+03 -0.15713E-02 -0.10421E-03 1920 0.670E-02 0.264E-01
DAV: 25 -0.444253263310E+03 -0.62428E-03 -0.32186E-04 1888 0.372E-02 0.183E-01
DAV: 26 -0.444253999564E+03 -0.73625E-03 -0.54174E-04 1832 0.464E-02 0.543E-02
DAV: 27 -0.444254742551E+03 -0.74299E-03 -0.57446E-04 1776 0.307E-02 0.104E-01
DAV: 28 -0.444254809258E+03 -0.66706E-04 -0.11325E-04 1448 0.196E-02 0.387E-02
DAV: 29 -0.444254902839E+03 -0.93581E-04 -0.34597E-05 1352 0.121E-02 0.127E-02
DAV: 30 -0.444254951290E+03 -0.48450E-04 -0.43164E-06 1032 0.459E-03 0.756E-03
DAV: 31 -0.444254987102E+03 -0.35812E-04 -0.56190E-06 1112 0.373E-03 0.567E-03
DAV: 32 -0.444254995931E+03 -0.88293E-05 -0.23116E-06 936 0.263E-03
1 F= -.44425500E+03 E0= -.44423660E+03 d E =-.551834E-01