./iterations/neb0_image08_iter15_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 0.803168579311E+03 0.80317E+03 -0.25980E+04 912 0.101E+03
DAV: 2 0.102965002936E+03 -0.70020E+03 -0.68315E+03 1112 0.282E+02
DAV: 3 -0.624539068154E+02 -0.16542E+03 -0.16496E+03 803 0.156E+02
DAV: 4 -0.674151114145E+02 -0.49612E+01 -0.49395E+01 928 0.297E+01
DAV: 5 -0.674682127164E+02 -0.53101E-01 -0.52971E-01 899 0.316E+00 0.203E+01
DAV: 6 -0.625806942247E+02 0.48875E+01 -0.19098E+01 875 0.234E+01 0.111E+01
DAV: 7 -0.623911731769E+02 0.18952E+00 -0.11215E+00 872 0.676E+00 0.402E+00
DAV: 8 -0.623745727087E+02 0.16600E-01 -0.11112E-01 928 0.231E+00 0.141E+00
DAV: 9 -0.623774540983E+02 -0.28814E-02 -0.24713E-02 904 0.127E+00 0.333E-01
DAV: 10 -0.623775422698E+02 -0.88172E-04 -0.69959E-03 870 0.683E-01 0.180E-01
DAV: 11 -0.623779410083E+02 -0.39874E-03 -0.84646E-04 899 0.251E-01 0.806E-02
DAV: 12 -0.623790043885E+02 -0.10634E-02 -0.47482E-04 849 0.237E-01 0.441E-02
DAV: 13 -0.623803041956E+02 -0.12998E-02 -0.42723E-04 849 0.198E-01 0.382E-02
DAV: 14 -0.623818084288E+02 -0.15042E-02 -0.34926E-04 867 0.144E-01 0.177E-02
DAV: 15 -0.623823315858E+02 -0.52316E-03 -0.68687E-05 915 0.551E-02 0.121E-02
DAV: 16 -0.623826518222E+02 -0.32024E-03 -0.15807E-05 641 0.187E-02 0.636E-03
DAV: 17 -0.623829347586E+02 -0.28294E-03 -0.21652E-05 657 0.171E-02 0.432E-03
DAV: 18 -0.623830525292E+02 -0.11777E-03 -0.72288E-06 624 0.103E-02 0.240E-03
DAV: 19 -0.623830908488E+02 -0.38320E-04 -0.20577E-06 606 0.581E-03 0.901E-04
DAV: 20 -0.623831124151E+02 -0.21566E-04 -0.11452E-06 580 0.401E-03 0.600E-04
DAV: 21 -0.623831191211E+02 -0.67060E-05 -0.33690E-07 497 0.252E-03
1 F= -.62383119E+02 E0= -.62386985E+02 d E =0.115963E-01