iterations/neb0_image03_iter71_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 0.209831677389E+04 0.20983E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138720955884E+03 -0.22370E+04 -0.21463E+04 2160 0.262E+02
DAV: 3 -0.463503950833E+03 -0.32478E+03 -0.31929E+03 1912 0.108E+02
DAV: 4 -0.476622900579E+03 -0.13119E+02 -0.13073E+02 1960 0.228E+01
DAV: 5 -0.477073898381E+03 -0.45100E+00 -0.45080E+00 2136 0.377E+00 0.433E+01
DAV: 6 -0.454003271995E+03 0.23071E+02 -0.14875E+02 2048 0.318E+01 0.417E+01
DAV: 7 -0.453470477018E+03 0.53279E+00 -0.82515E+01 1792 0.144E+01 0.219E+01
DAV: 8 -0.446817837559E+03 0.66526E+01 -0.98681E+00 1872 0.859E+00 0.136E+01
DAV: 9 -0.447259780939E+03 -0.44194E+00 -0.25278E+01 2048 0.112E+01 0.119E+01
DAV: 10 -0.446454995821E+03 0.80479E+00 -0.32541E+00 1832 0.340E+00 0.109E+01
DAV: 11 -0.445482806771E+03 0.97219E+00 -0.67556E-01 1936 0.215E+00 0.897E+00
DAV: 12 -0.445484137448E+03 -0.13307E-02 -0.87344E+00 2072 0.503E+00 0.120E+01
DAV: 13 -0.444375954940E+03 0.11082E+01 -0.13270E+00 1984 0.392E+00 0.530E+00
DAV: 14 -0.444230222221E+03 0.14573E+00 -0.26168E-01 1848 0.103E+00 0.265E+00
DAV: 15 -0.444195323701E+03 0.34899E-01 -0.30348E-01 1880 0.752E-01 0.102E+00
DAV: 16 -0.444226080690E+03 -0.30757E-01 -0.35742E-02 1968 0.584E-01 0.643E-01
DAV: 17 -0.444234911733E+03 -0.88310E-02 -0.13207E-02 1840 0.284E-01 0.141E+00
DAV: 18 -0.444227433155E+03 0.74786E-02 -0.31619E-03 1904 0.181E-01 0.543E-01
DAV: 19 -0.444230230221E+03 -0.27971E-02 -0.42092E-03 2016 0.199E-01 0.474E-01
DAV: 20 -0.444232200242E+03 -0.19700E-02 -0.25772E-03 1848 0.131E-01 0.225E-01
DAV: 21 -0.444232884942E+03 -0.68470E-03 -0.42153E-04 1912 0.612E-02 0.136E-01
DAV: 22 -0.444233582537E+03 -0.69759E-03 -0.38607E-04 1856 0.598E-02 0.466E-02
DAV: 23 -0.444234605964E+03 -0.10234E-02 -0.16805E-04 1912 0.305E-02 0.705E-02
DAV: 24 -0.444235714480E+03 -0.11085E-02 -0.15693E-04 1752 0.286E-02 0.215E-02
DAV: 25 -0.444236378057E+03 -0.66358E-03 -0.11936E-04 1888 0.235E-02 0.756E-02
DAV: 26 -0.444236531899E+03 -0.15384E-03 -0.24050E-05 1360 0.156E-02 0.972E-02
DAV: 27 -0.444236638752E+03 -0.10685E-03 -0.42722E-05 1584 0.164E-02 0.164E-02
DAV: 28 -0.444236753706E+03 -0.11495E-03 -0.94199E-06 1144 0.785E-03 0.259E-02
DAV: 29 -0.444236778090E+03 -0.24384E-04 -0.36417E-06 1024 0.741E-03 0.790E-03
DAV: 30 -0.444236828794E+03 -0.50704E-04 -0.60139E-06 1120 0.788E-03 0.213E-02
DAV: 31 -0.444236839949E+03 -0.11155E-04 -0.23803E-06 936 0.451E-03 0.107E-02
DAV: 32 -0.444236852550E+03 -0.12601E-04 -0.30477E-06 960 0.523E-03 0.333E-03
DAV: 33 -0.444236861978E+03 -0.94287E-05 -0.97398E-07 936 0.397E-03
1 F= -.44423686E+03 E0= -.44422687E+03 d E =-.299706E-01