iterations/neb0_image04_iter69_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 0.209142680086E+04 0.20914E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.139666210881E+03 -0.22311E+04 -0.21417E+04 2144 0.262E+02
DAV: 3 -0.464480563941E+03 -0.32481E+03 -0.32048E+03 1864 0.107E+02
DAV: 4 -0.477261410155E+03 -0.12781E+02 -0.12732E+02 1984 0.226E+01
DAV: 5 -0.477712954571E+03 -0.45154E+00 -0.45132E+00 2160 0.372E+00 0.431E+01
DAV: 6 -0.449141919510E+03 0.28571E+02 -0.14927E+02 2032 0.320E+01 0.372E+01
DAV: 7 -0.452868359486E+03 -0.37264E+01 -0.22424E+02 1920 0.156E+01 0.203E+01
DAV: 8 -0.446830991062E+03 0.60374E+01 -0.92883E+00 1800 0.928E+00 0.123E+01
DAV: 9 -0.445614493872E+03 0.12165E+01 -0.18446E+01 1952 0.119E+01 0.112E+01
DAV: 10 -0.444854660978E+03 0.75983E+00 -0.29979E+00 1896 0.375E+00 0.731E+00
DAV: 11 -0.444822351425E+03 0.32310E-01 -0.64772E+00 1952 0.422E+00 0.745E+00
DAV: 12 -0.444793659578E+03 0.28692E-01 -0.83175E+00 2136 0.326E+00 0.492E+00
DAV: 13 -0.444530657167E+03 0.26300E+00 -0.27226E-01 1960 0.126E+00 0.236E+00
DAV: 14 -0.444483877289E+03 0.46780E-01 -0.37415E-01 2000 0.857E-01 0.651E-01
DAV: 15 -0.444495111532E+03 -0.11234E-01 -0.29653E-02 1912 0.380E-01 0.524E-01
DAV: 16 -0.444501064936E+03 -0.59534E-02 -0.95945E-03 2032 0.222E-01 0.637E-01
DAV: 17 -0.444497205992E+03 0.38589E-02 -0.94399E-03 2128 0.200E-01 0.319E-01
DAV: 18 -0.444498545243E+03 -0.13393E-02 -0.28323E-03 1944 0.122E-01 0.390E-01
DAV: 19 -0.444499763928E+03 -0.12187E-02 -0.55125E-03 2328 0.168E-01 0.239E-01
DAV: 20 -0.444505240519E+03 -0.54766E-02 -0.77823E-03 2048 0.203E-01 0.242E-01
DAV: 21 -0.444511565750E+03 -0.63252E-02 -0.55972E-03 2160 0.214E-01 0.377E-01
DAV: 22 -0.444508543414E+03 0.30223E-02 -0.38685E-03 1960 0.153E-01 0.299E-01
DAV: 23 -0.444506089910E+03 0.24535E-02 -0.61738E-03 2192 0.177E-01 0.263E-01
DAV: 24 -0.444509113868E+03 -0.30240E-02 -0.36701E-03 2232 0.145E-01 0.225E-01
DAV: 25 -0.444504888000E+03 0.42259E-02 -0.12687E-02 2288 0.369E-01 0.411E-01
DAV: 26 -0.444513867025E+03 -0.89790E-02 -0.61258E-02 2144 0.320E-01 0.199E+00
DAV: 27 -0.444493574863E+03 0.20292E-01 -0.10628E-02 1720 0.136E-01 0.112E+00
DAV: 28 -0.444499145319E+03 -0.55705E-02 -0.22354E-04 1608 0.272E-02 0.119E+00
DAV: 29 -0.444498276039E+03 0.86928E-03 -0.46128E-04 1728 0.295E-02 0.989E-01
DAV: 30 -0.444499715918E+03 -0.14399E-02 -0.34547E-02 2320 0.195E-01 0.363E-01
DAV: 31 -0.444504681217E+03 -0.49653E-02 -0.18099E-03 1704 0.842E-02 0.220E-01
DAV: 32 -0.444507230938E+03 -0.25497E-02 -0.11689E-02 2256 0.128E-01 0.843E-01
DAV: 33 -0.444501568453E+03 0.56625E-02 -0.88896E-03 2008 0.901E-02 0.678E-02
DAV: 34 -0.444504887154E+03 -0.33187E-02 -0.38793E-04 1640 0.343E-02 0.968E-02
DAV: 35 -0.444505308416E+03 -0.42126E-03 -0.20310E-04 1512 0.238E-02 0.197E-01
DAV: 36 -0.444504933430E+03 0.37499E-03 -0.91938E-05 1360 0.182E-02 0.134E-01
DAV: 37 -0.444504953106E+03 -0.19676E-04 -0.68437E-05 1328 0.135E-02 0.710E-02
DAV: 38 -0.444505077497E+03 -0.12439E-03 -0.71277E-05 1440 0.130E-02 0.103E-02
DAV: 39 -0.444505152571E+03 -0.75074E-04 -0.10150E-05 1168 0.638E-03 0.484E-03
DAV: 40 -0.444505162448E+03 -0.98772E-05 -0.12980E-06 944 0.233E-03
1 F= -.44450516E+03 E0= -.44450329E+03 d E =-.562113E-02