iterations/neb0_image01_iter39_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 0.208839710991E+04 0.20884E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141223515935E+03 -0.22296E+04 -0.21421E+04 2144 0.261E+02
DAV: 3 -0.461869986525E+03 -0.32065E+03 -0.31710E+03 1896 0.107E+02
DAV: 4 -0.475306588178E+03 -0.13437E+02 -0.13220E+02 1976 0.226E+01
DAV: 5 -0.475791860073E+03 -0.48527E+00 -0.48486E+00 2088 0.378E+00 0.435E+01
DAV: 6 -0.458984602309E+03 0.16807E+02 -0.24247E+02 2048 0.320E+01 0.411E+01
DAV: 7 -0.449843026106E+03 0.91416E+01 -0.42024E+01 1768 0.140E+01 0.198E+01
DAV: 8 -0.445384503210E+03 0.44585E+01 -0.82064E+00 1824 0.711E+00 0.112E+01
DAV: 9 -0.446535522809E+03 -0.11510E+01 -0.24386E+01 2104 0.781E+00 0.988E+00
DAV: 10 -0.446009691582E+03 0.52583E+00 -0.14242E+00 1832 0.221E+00 0.889E+00
DAV: 11 -0.444847902996E+03 0.11618E+01 -0.18938E+00 1992 0.243E+00 0.559E+00
DAV: 12 -0.445053390745E+03 -0.20549E+00 -0.75514E+00 2056 0.279E+00 0.140E+01
DAV: 13 -0.444443611637E+03 0.60978E+00 -0.59587E+00 1984 0.250E+00 0.375E+00
DAV: 14 -0.444503190493E+03 -0.59579E-01 -0.14290E-01 1872 0.750E-01 0.337E+00
DAV: 15 -0.444392812580E+03 0.11038E+00 -0.19349E-02 2080 0.480E-01 0.130E+00
DAV: 16 -0.444402393189E+03 -0.95806E-02 -0.10650E-02 1912 0.328E-01 0.109E+00
DAV: 17 -0.444408314851E+03 -0.59217E-02 -0.17774E-01 2064 0.375E-01 0.718E-01
DAV: 18 -0.444415480682E+03 -0.71658E-02 -0.44206E-03 1920 0.160E-01 0.381E-01
DAV: 19 -0.444415040940E+03 0.43974E-03 -0.16134E-03 1904 0.959E-02 0.187E-01
DAV: 20 -0.444416120759E+03 -0.10798E-02 -0.71749E-04 1960 0.710E-02 0.477E-02
DAV: 21 -0.444417224742E+03 -0.11040E-02 -0.26804E-04 1800 0.384E-02 0.794E-02
DAV: 22 -0.444418235120E+03 -0.10104E-02 -0.18559E-04 1944 0.383E-02 0.961E-02
DAV: 23 -0.444418410115E+03 -0.17500E-03 -0.16066E-04 1992 0.375E-02 0.240E-02
DAV: 24 -0.444418736673E+03 -0.32656E-03 -0.48707E-05 1776 0.207E-02 0.187E-02
DAV: 25 -0.444419198060E+03 -0.46139E-03 -0.92283E-05 1800 0.194E-02 0.236E-02
DAV: 26 -0.444419296603E+03 -0.98543E-04 -0.14949E-05 1440 0.128E-02 0.882E-03
DAV: 27 -0.444419353925E+03 -0.57322E-04 -0.22922E-05 1584 0.107E-02 0.127E-02
DAV: 28 -0.444419368400E+03 -0.14475E-04 -0.32767E-06 952 0.499E-03 0.677E-03
DAV: 29 -0.444419399312E+03 -0.30912E-04 -0.10678E-05 1200 0.849E-03 0.149E-02
DAV: 30 -0.444419404390E+03 -0.50784E-05 -0.17683E-06 936 0.337E-03
1 F= -.44441940E+03 E0= -.44441246E+03 d E =-.208460E-01