./iterations/neb0_image07_iter7_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 0.796169406620E+03 0.79617E+03 -0.25702E+04 904 0.101E+03
DAV: 2 0.108155208390E+03 -0.68801E+03 -0.67061E+03 1096 0.279E+02
DAV: 3 -0.598883202372E+02 -0.16804E+03 -0.16733E+03 824 0.156E+02
DAV: 4 -0.651303067745E+02 -0.52420E+01 -0.52081E+01 872 0.301E+01
DAV: 5 -0.652036639544E+02 -0.73357E-01 -0.73255E-01 864 0.345E+00 0.185E+01
DAV: 6 -0.598175698811E+02 0.53861E+01 -0.23041E+01 800 0.261E+01 0.104E+01
DAV: 7 -0.595646208325E+02 0.25295E+00 -0.25411E+00 828 0.928E+00 0.487E+00
DAV: 8 -0.594605362424E+02 0.10408E+00 -0.89379E-01 928 0.645E+00 0.282E+00
DAV: 9 -0.594039706339E+02 0.56566E-01 -0.24199E-01 944 0.310E+00 0.739E-01
DAV: 10 -0.594049666083E+02 -0.99597E-03 -0.38423E-02 864 0.128E+00 0.322E-01
DAV: 11 -0.594048889517E+02 0.77657E-04 -0.13633E-02 864 0.761E-01 0.217E-01
DAV: 12 -0.594060765717E+02 -0.11876E-02 -0.43756E-03 864 0.380E-01 0.109E-01
DAV: 13 -0.594075693869E+02 -0.14928E-02 -0.28485E-03 864 0.268E-01 0.777E-02
DAV: 14 -0.594107151402E+02 -0.31458E-02 -0.13342E-03 859 0.266E-01 0.719E-02
DAV: 15 -0.594124428213E+02 -0.17277E-02 -0.68688E-04 864 0.145E-01 0.399E-02
DAV: 16 -0.594141006204E+02 -0.16578E-02 -0.21038E-04 859 0.698E-02 0.209E-02
DAV: 17 -0.594149708110E+02 -0.87019E-03 -0.90981E-05 800 0.539E-02 0.143E-02
DAV: 18 -0.594154505288E+02 -0.47972E-03 -0.34947E-05 672 0.276E-02 0.886E-03
DAV: 19 -0.594156593846E+02 -0.20886E-03 -0.16699E-05 608 0.227E-02 0.539E-03
DAV: 20 -0.594157550527E+02 -0.95668E-04 -0.85905E-06 608 0.143E-02 0.234E-03
DAV: 21 -0.594157893058E+02 -0.34253E-04 -0.27420E-06 592 0.820E-03 0.138E-03
DAV: 22 -0.594157998428E+02 -0.10537E-04 -0.66831E-07 483 0.415E-03 0.614E-04
DAV: 23 -0.594158093000E+02 -0.94571E-05 -0.45744E-07 532 0.270E-03
1 F= -.59415809E+02 E0= -.59422303E+02 d E =0.194824E-01