iterations/neb0_image08_iter17_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 0.210030847659E+04 0.21003E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.138189598690E+03 -0.22385E+04 -0.21483E+04 2144 0.262E+02
DAV: 3 -0.465807928277E+03 -0.32762E+03 -0.32424E+03 1864 0.108E+02
DAV: 4 -0.478312825188E+03 -0.12505E+02 -0.12455E+02 1936 0.226E+01
DAV: 5 -0.478793410031E+03 -0.48058E+00 -0.48036E+00 2168 0.386E+00 0.426E+01
DAV: 6 -0.447693700417E+03 0.31100E+02 -0.14474E+02 2008 0.311E+01 0.269E+01
DAV: 7 -0.447443618652E+03 0.25008E+00 -0.30590E+01 1896 0.115E+01 0.134E+01
DAV: 8 -0.447146022119E+03 0.29760E+00 -0.75587E+00 2448 0.836E+00 0.987E+00
DAV: 9 -0.445574816634E+03 0.15712E+01 -0.57828E+00 2056 0.463E+00 0.432E+00
DAV: 10 -0.446031424944E+03 -0.45661E+00 -0.71425E+00 2056 0.365E+00 0.602E+00
DAV: 11 -0.445465647033E+03 0.56578E+00 -0.27863E+00 2216 0.239E+00 0.178E+00
DAV: 12 -0.445505728472E+03 -0.40081E-01 -0.37379E-01 1920 0.990E-01 0.197E+00
DAV: 13 -0.445491584366E+03 0.14144E-01 -0.23402E-01 1880 0.637E-01 0.133E+00
DAV: 14 -0.445491200807E+03 0.38356E-03 -0.60819E-02 2064 0.420E-01 0.403E-01
DAV: 15 -0.445494597401E+03 -0.33966E-02 -0.13707E-02 2104 0.221E-01 0.452E-01
DAV: 16 -0.445494850011E+03 -0.25261E-03 -0.29643E-03 1960 0.153E-01 0.204E-01
DAV: 17 -0.445496483625E+03 -0.16336E-02 -0.13096E-03 1848 0.769E-02 0.122E-01
DAV: 18 -0.445497861262E+03 -0.13776E-02 -0.14365E-03 2096 0.633E-02 0.179E-01
DAV: 19 -0.445500017076E+03 -0.21558E-02 -0.28966E-03 1944 0.680E-02 0.225E-01
DAV: 20 -0.445501867341E+03 -0.18503E-02 -0.26491E-03 1864 0.891E-02 0.157E-01
DAV: 21 -0.445502724591E+03 -0.85725E-03 -0.38420E-04 1776 0.395E-02 0.845E-02
DAV: 22 -0.445503309719E+03 -0.58513E-03 -0.30777E-04 1808 0.323E-02 0.487E-02
DAV: 23 -0.445503553860E+03 -0.24414E-03 -0.80925E-05 1832 0.219E-02 0.579E-02
DAV: 24 -0.445503595830E+03 -0.41971E-04 -0.36091E-05 1192 0.108E-02 0.142E-02
DAV: 25 -0.445503683076E+03 -0.87245E-04 -0.12187E-05 1128 0.924E-03 0.118E-02
DAV: 26 -0.445503733217E+03 -0.50142E-04 -0.77647E-06 1040 0.747E-03 0.935E-03
DAV: 27 -0.445503769976E+03 -0.36759E-04 -0.36566E-06 1072 0.397E-03 0.384E-03
DAV: 28 -0.445503785592E+03 -0.15616E-04 -0.25662E-06 936 0.453E-03 0.510E-03
DAV: 29 -0.445503791004E+03 -0.54120E-05 -0.10328E-06 936 0.232E-03
1 F= -.44550379E+03 E0= -.44548072E+03 d E =-.692120E-01