iterations/neb0_image05_iter14_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 0.209771194303E+04 0.20977E+04 -0.11615E+05 1704 0.105E+03
DAV: 2 -0.137732763585E+03 -0.22354E+04 -0.21413E+04 2136 0.262E+02
DAV: 3 -0.462264892790E+03 -0.32453E+03 -0.31946E+03 1912 0.107E+02
DAV: 4 -0.475225268479E+03 -0.12960E+02 -0.12913E+02 1968 0.227E+01
DAV: 5 -0.475676817704E+03 -0.45155E+00 -0.45127E+00 2128 0.373E+00 0.430E+01
DAV: 6 -0.448812514824E+03 0.26864E+02 -0.15288E+02 2088 0.328E+01 0.341E+01
DAV: 7 -0.449522976462E+03 -0.71046E+00 -0.13329E+02 1960 0.163E+01 0.193E+01
DAV: 8 -0.444758210302E+03 0.47648E+01 -0.11262E+01 1936 0.111E+01 0.115E+01
DAV: 9 -0.444072911812E+03 0.68530E+00 -0.17982E+01 1968 0.820E+00 0.622E+00
DAV: 10 -0.443906256481E+03 0.16666E+00 -0.35458E+00 1944 0.361E+00 0.646E+00
DAV: 11 -0.443701217309E+03 0.20504E+00 -0.39715E+00 2184 0.328E+00 0.291E+00
DAV: 12 -0.443679662014E+03 0.21555E-01 -0.45123E-01 1904 0.146E+00 0.239E+00
DAV: 13 -0.443590445196E+03 0.89217E-01 -0.16268E-01 2296 0.115E+00 0.875E-01
DAV: 14 -0.443594341200E+03 -0.38960E-02 -0.95043E-02 1840 0.710E-01 0.402E-01
DAV: 15 -0.443597910609E+03 -0.35694E-02 -0.13890E-02 1952 0.291E-01 0.331E-01
DAV: 16 -0.443598005786E+03 -0.95176E-04 -0.29849E-03 2000 0.145E-01 0.181E-01
DAV: 17 -0.443600007829E+03 -0.20020E-02 -0.33841E-03 1864 0.122E-01 0.968E-02
DAV: 18 -0.443602139370E+03 -0.21315E-02 -0.98554E-04 2088 0.810E-02 0.108E-01
DAV: 19 -0.443602749168E+03 -0.60980E-03 -0.37931E-04 2072 0.486E-02 0.696E-02
DAV: 20 -0.443604586243E+03 -0.18371E-02 -0.52428E-04 1840 0.485E-02 0.307E-02
DAV: 21 -0.443606292326E+03 -0.17061E-02 -0.38390E-04 1896 0.530E-02 0.424E-02
DAV: 22 -0.443606641648E+03 -0.34932E-03 -0.28143E-04 1808 0.356E-02 0.244E-02
DAV: 23 -0.443606803181E+03 -0.16153E-03 -0.54194E-05 1664 0.194E-02 0.124E-02
DAV: 24 -0.443607024727E+03 -0.22155E-03 -0.31796E-05 1528 0.104E-02 0.121E-02
DAV: 25 -0.443607098882E+03 -0.74155E-04 -0.84217E-06 1152 0.879E-03 0.711E-03
DAV: 26 -0.443607162473E+03 -0.63590E-04 -0.13190E-05 1256 0.918E-03 0.501E-03
DAV: 27 -0.443607179277E+03 -0.16804E-04 -0.31884E-06 936 0.479E-03 0.525E-03
DAV: 28 -0.443607210672E+03 -0.31396E-04 -0.49095E-06 1056 0.636E-03 0.431E-03
DAV: 29 -0.443607217311E+03 -0.66390E-05 -0.19993E-06 944 0.410E-03
1 F= -.44360722E+03 E0= -.44359992E+03 d E =-.218804E-01