iterations/neb0_image04_iter20_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 0.209029826226E+04 0.20903E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.140339024947E+03 -0.22306E+04 -0.21396E+04 2136 0.262E+02
DAV: 3 -0.465605693470E+03 -0.32527E+03 -0.32177E+03 1872 0.107E+02
DAV: 4 -0.478012829429E+03 -0.12407E+02 -0.12353E+02 1936 0.224E+01
DAV: 5 -0.478494712557E+03 -0.48188E+00 -0.48162E+00 2144 0.384E+00 0.429E+01
DAV: 6 -0.447791966745E+03 0.30703E+02 -0.14645E+02 2024 0.318E+01 0.381E+01
DAV: 7 -0.453943155040E+03 -0.61512E+01 -0.24970E+02 1944 0.143E+01 0.208E+01
DAV: 8 -0.447869557937E+03 0.60736E+01 -0.91017E+00 1808 0.823E+00 0.129E+01
DAV: 9 -0.445783945573E+03 0.20856E+01 -0.23620E+01 1984 0.127E+01 0.984E+00
DAV: 10 -0.445053468068E+03 0.73048E+00 -0.43991E+00 1896 0.382E+00 0.943E+00
DAV: 11 -0.444290763423E+03 0.76270E+00 -0.14122E+00 1920 0.262E+00 0.655E+00
DAV: 12 -0.444241906658E+03 0.48857E-01 -0.66268E+00 2152 0.278E+00 0.678E+00
DAV: 13 -0.444426269451E+03 -0.18436E+00 -0.44367E+00 1952 0.273E+00 0.962E+00
DAV: 14 -0.444222544553E+03 0.20372E+00 -0.10530E+00 1936 0.989E-01 0.670E+00
DAV: 15 -0.443871632183E+03 0.35091E+00 -0.99947E-01 2016 0.126E+00 0.288E+00
DAV: 16 -0.443919011951E+03 -0.47380E-01 -0.83903E-01 1936 0.920E-01 0.358E+00
DAV: 17 -0.443884325832E+03 0.34686E-01 -0.39691E-01 2016 0.604E-01 0.171E+00
DAV: 18 -0.443883217704E+03 0.11081E-02 -0.21293E-02 1840 0.256E-01 0.726E-01
DAV: 19 -0.443900326837E+03 -0.17109E-01 -0.23818E-02 2024 0.200E-01 0.595E-01
DAV: 20 -0.443906047158E+03 -0.57203E-02 -0.31781E-03 1872 0.126E-01 0.118E-01
DAV: 21 -0.443908696509E+03 -0.26494E-02 -0.91736E-04 1800 0.513E-02 0.278E-01
DAV: 22 -0.443910516454E+03 -0.18199E-02 -0.11256E-03 2000 0.620E-02 0.310E-01
DAV: 23 -0.443911535331E+03 -0.10189E-02 -0.62948E-03 1968 0.679E-02 0.158E-01
DAV: 24 -0.443912847453E+03 -0.13121E-02 -0.24011E-04 1784 0.311E-02 0.122E-01
DAV: 25 -0.443913612884E+03 -0.76543E-03 -0.84552E-04 1784 0.359E-02 0.591E-02
DAV: 26 -0.443914246464E+03 -0.63358E-03 -0.78474E-04 1776 0.346E-02 0.108E-01
DAV: 27 -0.443914478680E+03 -0.23222E-03 -0.25338E-04 1768 0.242E-02 0.457E-02
DAV: 28 -0.443914543035E+03 -0.64356E-04 -0.96900E-05 1464 0.194E-02 0.167E-02
DAV: 29 -0.443914579276E+03 -0.36241E-04 -0.29735E-05 1368 0.127E-02 0.159E-02
DAV: 30 -0.443914622254E+03 -0.42978E-04 -0.32851E-06 1048 0.423E-03 0.904E-03
DAV: 31 -0.443914655100E+03 -0.32846E-04 -0.79304E-06 1080 0.412E-03 0.723E-03
DAV: 32 -0.443914669648E+03 -0.14548E-04 -0.13961E-06 952 0.260E-03 0.303E-03
DAV: 33 -0.443914675795E+03 -0.61468E-05 -0.63191E-07 944 0.135E-03
1 F= -.44391468E+03 E0= -.44388878E+03 d E =-.776911E-01