iterations/neb0_image07_iter12_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 0.210277170723E+04 0.21028E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.137112929611E+03 -0.22399E+04 -0.21529E+04 2160 0.262E+02
DAV: 3 -0.463736099462E+03 -0.32662E+03 -0.32199E+03 1848 0.108E+02
DAV: 4 -0.476851587428E+03 -0.13115E+02 -0.13067E+02 1976 0.229E+01
DAV: 5 -0.477315883964E+03 -0.46430E+00 -0.46401E+00 2112 0.380E+00 0.428E+01
DAV: 6 -0.447851897082E+03 0.29464E+02 -0.14819E+02 2040 0.320E+01 0.272E+01
DAV: 7 -0.445215529436E+03 0.26364E+01 -0.25891E+01 1856 0.117E+01 0.125E+01
DAV: 8 -0.444936245984E+03 0.27928E+00 -0.59151E+00 1992 0.589E+00 0.752E+00
DAV: 9 -0.446633785416E+03 -0.16975E+01 -0.30371E+01 2480 0.763E+00 0.718E+00
DAV: 10 -0.445683065031E+03 0.95072E+00 -0.13057E+00 1816 0.258E+00 0.583E+00
DAV: 11 -0.444662909633E+03 0.10202E+01 -0.19324E+00 2424 0.366E+00 0.987E-01
DAV: 12 -0.444707244285E+03 -0.44335E-01 -0.38377E-01 1888 0.126E+00 0.911E-01
DAV: 13 -0.444725879319E+03 -0.18635E-01 -0.24524E-02 2096 0.365E-01 0.175E+00
DAV: 14 -0.444767143812E+03 -0.41264E-01 -0.35513E-01 2544 0.949E-01 0.217E+00
DAV: 15 -0.444737853530E+03 0.29290E-01 -0.29723E-02 1824 0.393E-01 0.168E+00
DAV: 16 -0.444714844969E+03 0.23009E-01 -0.33326E-02 2112 0.362E-01 0.978E-01
DAV: 17 -0.444711879198E+03 0.29658E-02 -0.16701E-02 1976 0.358E-01 0.157E-01
DAV: 18 -0.444715526923E+03 -0.36477E-02 -0.36883E-03 1840 0.152E-01 0.169E-01
DAV: 19 -0.444717312915E+03 -0.17860E-02 -0.10976E-03 2088 0.756E-02 0.353E-01
DAV: 20 -0.444717397969E+03 -0.85054E-04 -0.77016E-04 2064 0.834E-02 0.532E-02
DAV: 21 -0.444719742367E+03 -0.23444E-02 -0.49807E-04 1848 0.589E-02 0.893E-02
DAV: 22 -0.444720256454E+03 -0.51409E-03 -0.14361E-04 1936 0.283E-02 0.528E-02
DAV: 23 -0.444720872108E+03 -0.61565E-03 -0.17005E-04 1880 0.359E-02 0.943E-02
DAV: 24 -0.444721567620E+03 -0.69551E-03 -0.11313E-04 1760 0.255E-02 0.104E-01
DAV: 25 -0.444721747862E+03 -0.18024E-03 -0.13452E-04 1840 0.372E-02 0.183E-02
DAV: 26 -0.444721906555E+03 -0.15869E-03 -0.84426E-05 1784 0.228E-02 0.177E-02
DAV: 27 -0.444721958736E+03 -0.52181E-04 -0.11442E-05 1176 0.102E-02 0.129E-02
DAV: 28 -0.444721972757E+03 -0.14021E-04 -0.49838E-06 936 0.705E-03 0.691E-03
DAV: 29 -0.444722000307E+03 -0.27550E-04 -0.43727E-06 1032 0.495E-03 0.286E-03
DAV: 30 -0.444722015279E+03 -0.14972E-04 -0.12450E-06 944 0.282E-03 0.537E-03
DAV: 31 -0.444722025233E+03 -0.99542E-05 -0.13373E-06 952 0.318E-03
1 F= -.44472203E+03 E0= -.44470959E+03 d E =-.373191E-01