iterations/neb0_image07_iter70_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 0.210203626982E+04 0.21020E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.139667150457E+03 -0.22417E+04 -0.21528E+04 2152 0.262E+02
DAV: 3 -0.465245052169E+03 -0.32558E+03 -0.32161E+03 1864 0.107E+02
DAV: 4 -0.477993860148E+03 -0.12749E+02 -0.12701E+02 1944 0.228E+01
DAV: 5 -0.478480742581E+03 -0.48688E+00 -0.48662E+00 2120 0.387E+00 0.429E+01
DAV: 6 -0.448378851099E+03 0.30102E+02 -0.14686E+02 2008 0.314E+01 0.271E+01
DAV: 7 -0.446322116062E+03 0.20567E+01 -0.25073E+01 1920 0.115E+01 0.136E+01
DAV: 8 -0.448068069846E+03 -0.17460E+01 -0.43133E+01 2440 0.853E+00 0.101E+01
DAV: 9 -0.445976688423E+03 0.20914E+01 -0.25818E+00 2112 0.477E+00 0.645E+00
DAV: 10 -0.446846756175E+03 -0.87007E+00 -0.20402E+01 2296 0.617E+00 0.873E+00
DAV: 11 -0.445403751431E+03 0.14430E+01 -0.13885E+00 2200 0.405E+00 0.171E+00
DAV: 12 -0.445500446911E+03 -0.96695E-01 -0.70520E-01 1864 0.123E+00 0.296E+00
DAV: 13 -0.445518793379E+03 -0.18346E-01 -0.99238E-01 2640 0.117E+00 0.242E+00
DAV: 14 -0.445467965423E+03 0.50828E-01 -0.18758E-01 2392 0.849E-01 0.106E+00
DAV: 15 -0.445482183697E+03 -0.14218E-01 -0.24144E-02 1816 0.318E-01 0.153E+00
DAV: 16 -0.445475402267E+03 0.67814E-02 -0.42012E-02 2448 0.486E-01 0.980E-01
DAV: 17 -0.445477291917E+03 -0.18897E-02 -0.73773E-03 1872 0.200E-01 0.867E-01
DAV: 18 -0.445474231853E+03 0.30601E-02 -0.15563E-03 2032 0.117E-01 0.552E-01
DAV: 19 -0.445473850368E+03 0.38148E-03 -0.18834E-03 1944 0.113E-01 0.124E-01
DAV: 20 -0.445477646431E+03 -0.37961E-02 -0.13400E-03 1896 0.910E-02 0.146E-01
DAV: 21 -0.445478625666E+03 -0.97923E-03 -0.32908E-04 1888 0.422E-02 0.247E-01
DAV: 22 -0.445478616897E+03 0.87682E-05 -0.43255E-05 1672 0.164E-02
1 F= -.44547862E+03 E0= -.44546065E+03 d E =-.539016E-01