iterations/neb0_image08_iter61_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 0.210218650106E+04 0.21022E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.141987811405E+03 -0.22442E+04 -0.21540E+04 2168 0.262E+02
DAV: 3 -0.466211757106E+03 -0.32422E+03 -0.32091E+03 1824 0.108E+02
DAV: 4 -0.479026176311E+03 -0.12814E+02 -0.12762E+02 1992 0.228E+01
DAV: 5 -0.479487649860E+03 -0.46147E+00 -0.46125E+00 2128 0.380E+00 0.427E+01
DAV: 6 -0.447497148947E+03 0.31991E+02 -0.14324E+02 2008 0.311E+01 0.271E+01
DAV: 7 -0.448489571398E+03 -0.99242E+00 -0.62669E+01 1880 0.110E+01 0.137E+01
DAV: 8 -0.446769900093E+03 0.17197E+01 -0.86301E+00 2504 0.799E+00 0.100E+01
DAV: 9 -0.446572717643E+03 0.19718E+00 -0.16317E+01 2080 0.449E+00 0.553E+00
DAV: 10 -0.445950263220E+03 0.62245E+00 -0.86843E-01 2232 0.431E+00 0.502E+00
DAV: 11 -0.445875130547E+03 0.75133E-01 -0.30563E+00 1912 0.197E+00 0.416E+00
DAV: 12 -0.445794455923E+03 0.80675E-01 -0.15905E+00 1952 0.113E+00 0.247E+00
DAV: 13 -0.445816112663E+03 -0.21657E-01 -0.88668E-01 1960 0.719E-01 0.283E+00
DAV: 14 -0.445770088776E+03 0.46024E-01 -0.36094E-01 2000 0.644E-01 0.619E-01
DAV: 15 -0.445778212437E+03 -0.81237E-02 -0.14093E-02 1936 0.268E-01 0.626E-01
DAV: 16 -0.445777091440E+03 0.11210E-02 -0.54098E-03 1912 0.128E-01 0.244E-01
DAV: 17 -0.445778798663E+03 -0.17072E-02 -0.21126E-03 1936 0.977E-02 0.105E-01
DAV: 18 -0.445781320645E+03 -0.25220E-02 -0.39221E-04 1896 0.619E-02 0.131E-01
DAV: 19 -0.445783755454E+03 -0.24348E-02 -0.69676E-04 2064 0.732E-02 0.219E-01
DAV: 20 -0.445784854854E+03 -0.10994E-02 -0.83748E-04 1976 0.697E-02 0.172E-01
DAV: 21 -0.445785929266E+03 -0.10744E-02 -0.39317E-04 1808 0.449E-02 0.615E-02
DAV: 22 -0.445786431760E+03 -0.50249E-03 -0.16304E-04 1832 0.344E-02 0.211E-02
DAV: 23 -0.445786696652E+03 -0.26489E-03 -0.75486E-05 1704 0.193E-02 0.319E-02
DAV: 24 -0.445786804446E+03 -0.10779E-03 -0.46014E-05 1640 0.197E-02 0.175E-02
DAV: 25 -0.445786866287E+03 -0.61841E-04 -0.12900E-05 1016 0.877E-03 0.139E-02
DAV: 26 -0.445786938614E+03 -0.72327E-04 -0.56806E-06 1104 0.592E-03 0.230E-02
DAV: 27 -0.445786970128E+03 -0.31514E-04 -0.30116E-06 1008 0.478E-03 0.386E-03
DAV: 28 -0.445786990292E+03 -0.20164E-04 -0.22768E-06 944 0.366E-03 0.578E-03
DAV: 29 -0.445786999432E+03 -0.91400E-05 -0.88162E-07 968 0.213E-03
1 F= -.44578700E+03 E0= -.44576035E+03 d E =-.799436E-01