iterations/neb0_image03_iter69_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 0.209806950829E+04 0.20981E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138762925100E+03 -0.22368E+04 -0.21461E+04 2160 0.262E+02
DAV: 3 -0.463561370343E+03 -0.32480E+03 -0.31928E+03 1920 0.108E+02
DAV: 4 -0.476654732289E+03 -0.13093E+02 -0.13048E+02 1952 0.228E+01
DAV: 5 -0.477105979101E+03 -0.45125E+00 -0.45104E+00 2120 0.377E+00 0.433E+01
DAV: 6 -0.454022719362E+03 0.23083E+02 -0.14886E+02 2048 0.319E+01 0.416E+01
DAV: 7 -0.453488825590E+03 0.53389E+00 -0.81531E+01 1792 0.144E+01 0.219E+01
DAV: 8 -0.446824689491E+03 0.66641E+01 -0.99831E+00 1856 0.857E+00 0.135E+01
DAV: 9 -0.447246726223E+03 -0.42204E+00 -0.24635E+01 2056 0.110E+01 0.119E+01
DAV: 10 -0.446442932459E+03 0.80379E+00 -0.32391E+00 1832 0.338E+00 0.109E+01
DAV: 11 -0.445506741094E+03 0.93619E+00 -0.62805E-01 1944 0.212E+00 0.896E+00
DAV: 12 -0.445353241345E+03 0.15350E+00 -0.45104E+00 2088 0.483E+00 0.119E+01
DAV: 13 -0.444434353924E+03 0.91889E+00 -0.13360E+00 1984 0.387E+00 0.528E+00
DAV: 14 -0.444254639567E+03 0.17971E+00 -0.25661E-01 1848 0.106E+00 0.323E+00
DAV: 15 -0.444208129905E+03 0.46510E-01 -0.76520E-01 1928 0.872E-01 0.227E+00
DAV: 16 -0.444250091729E+03 -0.41962E-01 -0.96556E-02 1992 0.772E-01 0.194E+00
DAV: 17 -0.444219675190E+03 0.30417E-01 -0.69897E-02 1816 0.351E-01 0.352E-01
DAV: 18 -0.444232695673E+03 -0.13020E-01 -0.57568E-03 1968 0.168E-01 0.552E-01
DAV: 19 -0.444233478011E+03 -0.78234E-03 -0.24991E-03 1984 0.164E-01 0.343E-01
DAV: 20 -0.444234193236E+03 -0.71522E-03 -0.13224E-03 1904 0.855E-02 0.778E-02
DAV: 21 -0.444235551310E+03 -0.13581E-02 -0.25132E-04 1872 0.335E-02 0.662E-02
DAV: 22 -0.444236711184E+03 -0.11599E-02 -0.94008E-05 1768 0.256E-02 0.139E-01
DAV: 23 -0.444238013833E+03 -0.13026E-02 -0.17497E-04 1808 0.315E-02 0.157E-01
DAV: 24 -0.444238485842E+03 -0.47201E-03 -0.16713E-04 1744 0.369E-02 0.834E-02
DAV: 25 -0.444238916676E+03 -0.43083E-03 -0.65329E-05 1648 0.201E-02 0.199E-02
DAV: 26 -0.444239025135E+03 -0.10846E-03 -0.13662E-05 1312 0.866E-03 0.259E-02
DAV: 27 -0.444239124211E+03 -0.99075E-04 -0.12669E-05 1240 0.888E-03 0.339E-02
DAV: 28 -0.444239163686E+03 -0.39475E-04 -0.63728E-06 1200 0.696E-03 0.573E-03
DAV: 29 -0.444239197337E+03 -0.33651E-04 -0.32471E-06 1072 0.589E-03 0.103E-02
DAV: 30 -0.444239221042E+03 -0.23705E-04 -0.43128E-06 992 0.546E-03 0.487E-03
DAV: 31 -0.444239228526E+03 -0.74836E-05 -0.87405E-07 936 0.302E-03
1 F= -.44423923E+03 E0= -.44422922E+03 d E =-.300150E-01