./iterations/neb0_image06_iter76_OSZICAR.out output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.790215394367E+03 0.79022E+03 -0.25937E+04 912 0.101E+03
DAV: 2 0.101733076808E+03 -0.68848E+03 -0.67132E+03 1088 0.280E+02
DAV: 3 -0.617955356862E+02 -0.16353E+03 -0.16298E+03 838 0.155E+02
DAV: 4 -0.663861385664E+02 -0.45906E+01 -0.45526E+01 800 0.291E+01
DAV: 5 -0.664897462104E+02 -0.10361E+00 -0.10346E+00 875 0.379E+00 0.202E+01
DAV: 6 -0.625166710394E+02 0.39731E+01 -0.58522E+01 790 0.314E+01 0.217E+01
DAV: 7 -0.617124355345E+02 0.80424E+00 -0.80091E+01 880 0.129E+01 0.104E+01
DAV: 8 -0.605458227120E+02 0.11666E+01 -0.10703E+00 947 0.806E+00 0.654E+00
DAV: 9 -0.602493829808E+02 0.29644E+00 -0.86889E+00 864 0.834E+00 0.155E+01
DAV: 10 -0.595675952104E+02 0.68179E+00 -0.37239E+00 875 0.258E+00 0.253E+00
DAV: 11 -0.596719173455E+02 -0.10432E+00 -0.78391E-02 841 0.171E+00 0.183E+00
DAV: 12 -0.598607338882E+02 -0.18882E+00 -0.70316E-01 864 0.182E+00 0.384E+00
DAV: 13 -0.597359555351E+02 0.12478E+00 -0.35112E-02 864 0.953E-01 0.432E+00
DAV: 14 -0.596413071832E+02 0.94648E-01 -0.13708E-01 992 0.919E-01 0.993E-01
DAV: 15 -0.596831975718E+02 -0.41890E-01 -0.49510E-02 898 0.485E-01 0.286E+00
DAV: 16 -0.596619674349E+02 0.21230E-01 -0.64708E-03 863 0.343E-01 0.181E+00
DAV: 17 -0.596679184192E+02 -0.59510E-02 -0.13672E-03 923 0.221E-01 0.180E+00
DAV: 18 -0.596646782904E+02 0.32401E-02 -0.14703E-02 963 0.193E-01 0.223E-01
DAV: 19 -0.596777207035E+02 -0.13042E-01 -0.68090E-03 907 0.180E-01 0.121E+00
DAV: 20 -0.596769710996E+02 0.74960E-03 -0.21566E-02 1051 0.278E-01 0.105E+00
DAV: 21 -0.596763337089E+02 0.63739E-03 -0.28849E-03 896 0.178E-01 0.187E-01
DAV: 22 -0.596786909168E+02 -0.23572E-02 -0.25944E-03 915 0.935E-02 0.621E-01
DAV: 23 -0.596779957005E+02 0.69522E-03 -0.76787E-04 827 0.932E-02 0.165E-01
DAV: 24 -0.596789015969E+02 -0.90590E-03 -0.49392E-04 803 0.428E-02 0.150E-01
DAV: 25 -0.596792189073E+02 -0.31731E-03 -0.27517E-04 712 0.420E-02 0.106E-01
DAV: 26 -0.596792436535E+02 -0.24746E-04 -0.25479E-05 624 0.191E-02 0.321E-02
DAV: 27 -0.596792973639E+02 -0.53710E-04 -0.60507E-06 593 0.817E-03 0.867E-03
DAV: 28 -0.596793162731E+02 -0.18909E-04 -0.15879E-06 560 0.544E-03 0.101E-02
DAV: 29 -0.596793266851E+02 -0.10412E-04 -0.60883E-07 567 0.367E-03 0.189E-03
DAV: 30 -0.596793307096E+02 -0.40245E-05 -0.15113E-07 488 0.185E-03
1 F= -.59679331E+02 E0= -.59664666E+02 d E =-.439951E-01