iterations/neb0_image07_iter13_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 0.210094298425E+04 0.21009E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.138423860588E+03 -0.22394E+04 -0.21538E+04 2160 0.262E+02
DAV: 3 -0.464134123011E+03 -0.32571E+03 -0.32113E+03 1864 0.107E+02
DAV: 4 -0.476990839453E+03 -0.12857E+02 -0.12809E+02 1976 0.228E+01
DAV: 5 -0.477454470869E+03 -0.46363E+00 -0.46336E+00 2128 0.379E+00 0.427E+01
DAV: 6 -0.447918814741E+03 0.29536E+02 -0.14780E+02 2024 0.320E+01 0.272E+01
DAV: 7 -0.445322956722E+03 0.25959E+01 -0.25152E+01 1856 0.117E+01 0.124E+01
DAV: 8 -0.444952487636E+03 0.37047E+00 -0.49689E+00 1992 0.586E+00 0.619E+00
DAV: 9 -0.446309570921E+03 -0.13571E+01 -0.15332E+01 2448 0.639E+00 0.631E+00
DAV: 10 -0.445341374388E+03 0.96820E+00 -0.81448E-01 1896 0.255E+00 0.513E+00
DAV: 11 -0.445467796529E+03 -0.12642E+00 -0.93404E+00 2440 0.432E+00 0.838E+00
DAV: 12 -0.444791738641E+03 0.67606E+00 -0.62553E-01 1968 0.240E+00 0.171E+00
DAV: 13 -0.444844079975E+03 -0.52341E-01 -0.17660E-01 1888 0.752E-01 0.146E+00
DAV: 14 -0.444834047327E+03 0.10033E-01 -0.13499E-02 2264 0.285E-01 0.122E+00
DAV: 15 -0.444826872304E+03 0.71750E-02 -0.24740E-02 2528 0.487E-01 0.811E-01
DAV: 16 -0.444828375117E+03 -0.15028E-02 -0.85717E-03 1904 0.196E-01 0.432E-01
DAV: 17 -0.444829661781E+03 -0.12867E-02 -0.18408E-03 1920 0.995E-02 0.394E-01
DAV: 18 -0.444830735412E+03 -0.10736E-02 -0.29195E-03 2432 0.141E-01 0.226E-01
DAV: 19 -0.444831537092E+03 -0.80168E-03 -0.77807E-04 1896 0.813E-02 0.473E-02
DAV: 20 -0.444833928091E+03 -0.23910E-02 -0.54326E-04 1784 0.455E-02 0.673E-02
DAV: 21 -0.444834678306E+03 -0.75022E-03 -0.14844E-04 2064 0.317E-02 0.123E-01
DAV: 22 -0.444835542043E+03 -0.86374E-03 -0.23647E-04 1976 0.535E-02 0.538E-02
DAV: 23 -0.444836313620E+03 -0.77158E-03 -0.15455E-04 1816 0.270E-02 0.909E-02
DAV: 24 -0.444836454766E+03 -0.14115E-03 -0.12919E-04 1872 0.371E-02 0.317E-02
DAV: 25 -0.444836624894E+03 -0.17013E-03 -0.61186E-05 1736 0.172E-02 0.884E-03
DAV: 26 -0.444836671909E+03 -0.47016E-04 -0.82904E-06 1104 0.929E-03 0.642E-03
DAV: 27 -0.444836709393E+03 -0.37484E-04 -0.55320E-06 1016 0.703E-03 0.116E-02
DAV: 28 -0.444836734313E+03 -0.24920E-04 -0.32961E-06 1080 0.457E-03 0.441E-03
DAV: 29 -0.444836745400E+03 -0.11087E-04 -0.26844E-06 936 0.465E-03 0.101E-02
DAV: 30 -0.444836751383E+03 -0.59827E-05 -0.10760E-06 936 0.277E-03
1 F= -.44483675E+03 E0= -.44482343E+03 d E =-.399589E-01