iterations/neb0_image07_iter40_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 0.210110934417E+04 0.21011E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.138131471930E+03 -0.22392E+04 -0.21499E+04 2144 0.262E+02
DAV: 3 -0.464321303740E+03 -0.32619E+03 -0.32122E+03 1888 0.107E+02
DAV: 4 -0.477069193961E+03 -0.12748E+02 -0.12700E+02 1928 0.227E+01
DAV: 5 -0.477560321327E+03 -0.49113E+00 -0.49085E+00 2128 0.387E+00 0.428E+01
DAV: 6 -0.448615722191E+03 0.28945E+02 -0.14811E+02 2048 0.319E+01 0.272E+01
DAV: 7 -0.445814755939E+03 0.28010E+01 -0.26400E+01 1856 0.118E+01 0.127E+01
DAV: 8 -0.446162560160E+03 -0.34780E+00 -0.10414E+01 1992 0.659E+00 0.979E+00
DAV: 9 -0.446486618189E+03 -0.32406E+00 -0.67756E+00 2424 0.711E+00 0.657E+00
DAV: 10 -0.446113128987E+03 0.37349E+00 -0.13342E+00 1792 0.230E+00 0.558E+00
DAV: 11 -0.445552862435E+03 0.56027E+00 -0.49757E-01 2224 0.215E+00 0.419E+00
DAV: 12 -0.445269454512E+03 0.28341E+00 -0.16066E+00 2136 0.209E+00 0.971E-01
DAV: 13 -0.445299010262E+03 -0.29556E-01 -0.12346E-01 1872 0.798E-01 0.824E-01
DAV: 14 -0.445294015287E+03 0.49950E-02 -0.96642E-03 1936 0.218E-01 0.520E-01
DAV: 15 -0.445297301559E+03 -0.32863E-02 -0.86674E-03 1880 0.204E-01 0.379E-01
DAV: 16 -0.445299527927E+03 -0.22264E-02 -0.39041E-03 1912 0.171E-01 0.296E-01
DAV: 17 -0.445300635544E+03 -0.11076E-02 -0.17732E-03 1968 0.139E-01 0.768E-02
DAV: 18 -0.445301881951E+03 -0.12464E-02 -0.77297E-04 1928 0.678E-02 0.123E-01
DAV: 19 -0.445304262770E+03 -0.23808E-02 -0.72375E-04 2040 0.105E-01 0.194E-01
DAV: 20 -0.445305389534E+03 -0.11268E-02 -0.56635E-04 1800 0.702E-02 0.677E-02
DAV: 21 -0.445306009577E+03 -0.62004E-03 -0.16378E-04 1856 0.273E-02 0.428E-02
DAV: 22 -0.445306690394E+03 -0.68082E-03 -0.16264E-04 1808 0.332E-02 0.395E-02
DAV: 23 -0.445306956291E+03 -0.26590E-03 -0.42809E-05 1624 0.169E-02 0.167E-02
DAV: 24 -0.445307285210E+03 -0.32892E-03 -0.38500E-05 1496 0.193E-02 0.127E-02
DAV: 25 -0.445307359251E+03 -0.74041E-04 -0.27674E-05 1456 0.132E-02 0.164E-02
DAV: 26 -0.445307401055E+03 -0.41805E-04 -0.57927E-06 1040 0.823E-03 0.453E-03
DAV: 27 -0.445307427847E+03 -0.26792E-04 -0.58115E-06 1040 0.567E-03 0.821E-03
DAV: 28 -0.445307442930E+03 -0.15083E-04 -0.14135E-06 944 0.548E-03 0.305E-03
DAV: 29 -0.445307456698E+03 -0.13768E-04 -0.34520E-06 992 0.476E-03 0.354E-03
DAV: 30 -0.445307459514E+03 -0.28154E-05 -0.51812E-07 936 0.278E-03
1 F= -.44530746E+03 E0= -.44529593E+03 d E =-.345939E-01