./iterations/neb0_image04_iter50_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 0.790745558323E+03 0.79075E+03 -0.25908E+04 912 0.101E+03
DAV: 2 0.102330851974E+03 -0.68841E+03 -0.66983E+03 1104 0.279E+02
DAV: 3 -0.604016228533E+02 -0.16273E+03 -0.16190E+03 849 0.154E+02
DAV: 4 -0.650949974212E+02 -0.46934E+01 -0.46795E+01 848 0.287E+01
DAV: 5 -0.651708461257E+02 -0.75849E-01 -0.75692E-01 902 0.338E+00 0.206E+01
DAV: 6 -0.656163413065E+02 -0.44550E+00 -0.13282E+02 859 0.394E+01 0.208E+01
DAV: 7 -0.591336055916E+02 0.64827E+01 -0.14920E+01 936 0.146E+01 0.105E+01
DAV: 8 -0.604166892966E+02 -0.12831E+01 -0.30367E+01 912 0.168E+01 0.116E+01
DAV: 9 -0.591212488751E+02 0.12954E+01 -0.12392E+01 1016 0.107E+01 0.978E+00
DAV: 10 -0.605624220535E+02 -0.14412E+01 -0.33380E+01 968 0.725E+00 0.114E+01
DAV: 11 -0.593327851463E+02 0.12296E+01 -0.69904E-01 1056 0.627E+00 0.948E+00
DAV: 12 -0.588070371626E+02 0.52575E+00 -0.15006E+00 920 0.328E+00 0.379E+00
DAV: 13 -0.588376956366E+02 -0.30658E-01 -0.66119E-02 864 0.172E+00 0.254E+00
DAV: 14 -0.588428465886E+02 -0.51510E-02 -0.11950E-01 904 0.675E-01 0.141E+00
DAV: 15 -0.588633167958E+02 -0.20470E-01 -0.19318E-01 1051 0.948E-01 0.288E+00
DAV: 16 -0.589663362923E+02 -0.10302E+00 -0.62618E-01 854 0.138E+00 0.768E+00
DAV: 17 -0.588011621802E+02 0.16517E+00 -0.12986E-01 760 0.814E-01 0.538E+00
DAV: 18 -0.588059202430E+02 -0.47581E-02 -0.34143E-03 780 0.233E-01 0.539E+00
DAV: 19 -0.587791558567E+02 0.26764E-01 -0.11979E-01 931 0.339E-01 0.328E+00
DAV: 20 -0.588277382306E+02 -0.48582E-01 -0.57210E-02 804 0.285E-01 0.455E+00
DAV: 21 -0.587843088501E+02 0.43429E-01 -0.26914E-01 1067 0.777E-01 0.915E-01
DAV: 22 -0.588461559443E+02 -0.61847E-01 -0.10196E-01 910 0.602E-01 0.166E+00
DAV: 23 -0.588496798123E+02 -0.35239E-02 -0.25797E-03 790 0.310E-01 0.179E+00
DAV: 24 -0.588415961743E+02 0.80836E-02 -0.17063E-02 790 0.451E-01 0.956E-01
DAV: 25 -0.588491183841E+02 -0.75222E-02 -0.20468E-02 896 0.267E-01 0.383E-01
DAV: 26 -0.588622935405E+02 -0.13175E-01 -0.77719E-02 904 0.439E-01 0.215E+00
DAV: 27 -0.588424634567E+02 0.19830E-01 -0.51328E-02 875 0.298E-01 0.490E-01
DAV: 28 -0.588530976743E+02 -0.10634E-01 -0.27292E-03 920 0.190E-01 0.417E-01
DAV: 29 -0.588555021557E+02 -0.24045E-02 -0.82984E-04 899 0.716E-02 0.207E-01
DAV: 30 -0.588563724383E+02 -0.87028E-03 -0.83001E-05 827 0.540E-02 0.241E-01
DAV: 31 -0.588565338519E+02 -0.16141E-03 -0.17007E-03 668 0.369E-02 0.973E-02
DAV: 32 -0.588568280351E+02 -0.29418E-03 -0.45397E-05 627 0.321E-02 0.107E-01
DAV: 33 -0.588568619846E+02 -0.33949E-04 -0.23300E-05 588 0.182E-02 0.770E-02
DAV: 34 -0.588568855733E+02 -0.23589E-04 -0.28233E-05 576 0.129E-02 0.366E-02
DAV: 35 -0.588569085302E+02 -0.22957E-04 -0.27726E-05 495 0.806E-03 0.789E-03
DAV: 36 -0.588569220682E+02 -0.13538E-04 -0.19525E-06 524 0.540E-03 0.331E-03
DAV: 37 -0.588569264518E+02 -0.43836E-05 -0.67541E-07 469 0.216E-03
1 F= -.58856926E+02 E0= -.58867523E+02 d E =0.317898E-01