iterations/neb0_image08_iter8_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 0.210527355648E+04 0.21053E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.138475709178E+03 -0.22437E+04 -0.21544E+04 2160 0.262E+02
DAV: 3 -0.465452100677E+03 -0.32698E+03 -0.32348E+03 1872 0.108E+02
DAV: 4 -0.477968656590E+03 -0.12517E+02 -0.12470E+02 1920 0.226E+01
DAV: 5 -0.478462730493E+03 -0.49407E+00 -0.49380E+00 2112 0.389E+00 0.428E+01
DAV: 6 -0.447666336511E+03 0.30796E+02 -0.14452E+02 2000 0.315E+01 0.271E+01
DAV: 7 -0.446713218453E+03 0.95312E+00 -0.23803E+01 1896 0.115E+01 0.133E+01
DAV: 8 -0.447303772455E+03 -0.59055E+00 -0.72559E+00 2440 0.840E+00 0.981E+00
DAV: 9 -0.445296416784E+03 0.20074E+01 -0.19377E+00 2152 0.458E+00 0.459E+00
DAV: 10 -0.446147228873E+03 -0.85081E+00 -0.10297E+01 2120 0.434E+00 0.739E+00
DAV: 11 -0.445197665596E+03 0.94956E+00 -0.80268E-01 2208 0.309E+00 0.140E+00
DAV: 12 -0.445333303440E+03 -0.13564E+00 -0.91799E-01 1912 0.112E+00 0.412E+00
DAV: 13 -0.445302367400E+03 0.30936E-01 -0.23584E+00 2528 0.149E+00 0.299E+00
DAV: 14 -0.445249422250E+03 0.52945E-01 -0.67306E-02 1856 0.607E-01 0.145E+00
DAV: 15 -0.445250275289E+03 -0.85304E-03 -0.16870E-01 2128 0.608E-01 0.110E+00
DAV: 16 -0.445247697448E+03 0.25778E-02 -0.26528E-02 1888 0.284E-01 0.262E-01
DAV: 17 -0.445249588721E+03 -0.18913E-02 -0.22601E-03 1944 0.113E-01 0.284E-01
DAV: 18 -0.445251840364E+03 -0.22516E-02 -0.74840E-03 2376 0.148E-01 0.361E-01
DAV: 19 -0.445253498009E+03 -0.16576E-02 -0.17446E-03 1832 0.793E-02 0.106E-01
DAV: 20 -0.445255432513E+03 -0.19345E-02 -0.97230E-04 1944 0.657E-02 0.806E-02
DAV: 21 -0.445256457052E+03 -0.10245E-02 -0.36603E-04 1832 0.376E-02 0.327E-02
DAV: 22 -0.445257377573E+03 -0.92052E-03 -0.13823E-04 1664 0.206E-02 0.952E-03
DAV: 23 -0.445257622087E+03 -0.24451E-03 -0.83312E-05 1552 0.144E-02 0.474E-02
DAV: 24 -0.445257696604E+03 -0.74517E-04 -0.40580E-05 1200 0.989E-03 0.577E-03
DAV: 25 -0.445257779247E+03 -0.82643E-04 -0.75421E-06 1144 0.595E-03 0.468E-03
DAV: 26 -0.445257828621E+03 -0.49373E-04 -0.60413E-06 1040 0.498E-03 0.157E-02
DAV: 27 -0.445257847044E+03 -0.18423E-04 -0.36619E-06 944 0.390E-03 0.342E-03
DAV: 28 -0.445257870605E+03 -0.23561E-04 -0.73976E-06 1032 0.554E-03 0.147E-02
DAV: 29 -0.445257872293E+03 -0.16882E-05 -0.26655E-06 936 0.301E-03
1 F= -.44525787E+03 E0= -.44523786E+03 d E =-.600356E-01