iterations/neb0_image07_iter10_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 0.210379752522E+04 0.21038E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.136375885438E+03 -0.22402E+04 -0.21510E+04 2152 0.262E+02
DAV: 3 -0.463514492791E+03 -0.32714E+03 -0.32234E+03 1848 0.108E+02
DAV: 4 -0.476730155266E+03 -0.13216E+02 -0.13165E+02 1968 0.230E+01
DAV: 5 -0.477204437551E+03 -0.47428E+00 -0.47397E+00 2080 0.384E+00 0.428E+01
DAV: 6 -0.447861921829E+03 0.29343E+02 -0.14796E+02 2040 0.321E+01 0.272E+01
DAV: 7 -0.445193790219E+03 0.26681E+01 -0.25501E+01 1872 0.117E+01 0.126E+01
DAV: 8 -0.445360542413E+03 -0.16675E+00 -0.92414E+00 1960 0.624E+00 0.980E+00
DAV: 9 -0.446033232984E+03 -0.67269E+00 -0.81340E+00 2480 0.726E+00 0.686E+00
DAV: 10 -0.445693275701E+03 0.33996E+00 -0.12551E+00 1832 0.229E+00 0.574E+00
DAV: 11 -0.444881253871E+03 0.81202E+00 -0.82619E-01 2288 0.236E+00 0.404E+00
DAV: 12 -0.444655119433E+03 0.22613E+00 -0.83004E-01 1992 0.179E+00 0.841E-01
DAV: 13 -0.444681308894E+03 -0.26189E-01 -0.78325E-02 1880 0.644E-01 0.931E-01
DAV: 14 -0.444677518941E+03 0.37900E-02 -0.13108E-02 1936 0.259E-01 0.407E-01
DAV: 15 -0.444684165454E+03 -0.66465E-02 -0.13746E-02 1952 0.263E-01 0.481E-01
DAV: 16 -0.444684575659E+03 -0.41020E-03 -0.43197E-03 1960 0.195E-01 0.307E-01
DAV: 17 -0.444685944195E+03 -0.13685E-02 -0.35004E-03 2024 0.170E-01 0.316E-01
DAV: 18 -0.444685609718E+03 0.33448E-03 -0.17295E-03 1912 0.105E-01 0.950E-02
DAV: 19 -0.444687274775E+03 -0.16651E-02 -0.13218E-03 2104 0.114E-01 0.701E-02
DAV: 20 -0.444689007717E+03 -0.17329E-02 -0.72892E-04 1816 0.645E-02 0.100E-01
DAV: 21 -0.444689917438E+03 -0.90972E-03 -0.24302E-04 1984 0.434E-02 0.569E-02
DAV: 22 -0.444690600300E+03 -0.68286E-03 -0.23961E-04 1904 0.459E-02 0.478E-02
DAV: 23 -0.444690954728E+03 -0.35443E-03 -0.11938E-04 1912 0.233E-02 0.703E-02
DAV: 24 -0.444691949145E+03 -0.99442E-03 -0.15376E-04 1640 0.390E-02 0.290E-02
DAV: 25 -0.444692204158E+03 -0.25501E-03 -0.11702E-04 1824 0.221E-02 0.171E-02
DAV: 26 -0.444692303487E+03 -0.99329E-04 -0.20185E-05 1328 0.121E-02 0.359E-02
DAV: 27 -0.444692350800E+03 -0.47313E-04 -0.20931E-05 1160 0.109E-02 0.361E-02
DAV: 28 -0.444692372180E+03 -0.21380E-04 -0.41060E-06 1016 0.710E-03 0.174E-02
DAV: 29 -0.444692396352E+03 -0.24172E-04 -0.11354E-05 1176 0.113E-02 0.115E-02
DAV: 30 -0.444692404461E+03 -0.81097E-05 -0.38721E-06 936 0.483E-03
1 F= -.44469240E+03 E0= -.44468003E+03 d E =-.371188E-01