./iterations/neb0_image06_iter95_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 0.788535955501E+03 0.78854E+03 -0.25939E+04 912 0.101E+03
DAV: 2 0.100430581939E+03 -0.68811E+03 -0.67170E+03 1096 0.280E+02
DAV: 3 -0.622509277890E+02 -0.16268E+03 -0.16224E+03 867 0.154E+02
DAV: 4 -0.665334838811E+02 -0.42826E+01 -0.42554E+01 808 0.285E+01
DAV: 5 -0.666175489975E+02 -0.84065E-01 -0.83971E-01 857 0.353E+00 0.202E+01
DAV: 6 -0.629791941218E+02 0.36384E+01 -0.64313E+01 790 0.313E+01 0.214E+01
DAV: 7 -0.617823894996E+02 0.11968E+01 -0.75969E+01 864 0.126E+01 0.104E+01
DAV: 8 -0.605185519324E+02 0.12638E+01 -0.10756E+00 875 0.787E+00 0.656E+00
DAV: 9 -0.609262177602E+02 -0.40767E+00 -0.17164E+01 864 0.816E+00 0.158E+01
DAV: 10 -0.598000492166E+02 0.11262E+01 -0.46279E-01 857 0.234E+00 0.126E+01
DAV: 11 -0.600641463808E+02 -0.26410E+00 -0.12311E+01 864 0.416E+00 0.550E+00
DAV: 12 -0.600468112211E+02 0.17335E-01 -0.75620E-02 846 0.169E+00 0.550E+00
DAV: 13 -0.599051040746E+02 0.14171E+00 -0.25979E-01 896 0.970E-01 0.449E+00
DAV: 14 -0.598587457735E+02 0.46358E-01 -0.66323E-03 928 0.443E-01 0.456E+00
DAV: 15 -0.597201291431E+02 0.13862E+00 -0.65433E-01 968 0.142E+00 0.508E+00
DAV: 16 -0.597051595821E+02 0.14970E-01 -0.34625E-02 826 0.623E-01 0.325E+00
DAV: 17 -0.596968623715E+02 0.82972E-02 -0.79980E-02 862 0.296E-01 0.771E-01
DAV: 18 -0.597189975951E+02 -0.22135E-01 -0.24970E-03 874 0.257E-01 0.760E-01
DAV: 19 -0.597212324124E+02 -0.22348E-02 -0.11347E-03 915 0.156E-01 0.509E-01
DAV: 20 -0.597307709458E+02 -0.95385E-02 -0.14185E-02 926 0.236E-01 0.185E+00
DAV: 21 -0.597208159419E+02 0.99550E-02 -0.56386E-03 923 0.150E-01 0.546E-01
DAV: 22 -0.597266737856E+02 -0.58578E-02 -0.93608E-04 883 0.111E-01 0.150E-01
DAV: 23 -0.597289474308E+02 -0.22736E-02 -0.85560E-04 928 0.762E-02 0.347E-01
DAV: 24 -0.597290409995E+02 -0.93569E-04 -0.12038E-04 793 0.553E-02 0.177E-01
DAV: 25 -0.597295008608E+02 -0.45986E-03 -0.11502E-04 675 0.308E-02 0.239E-02
DAV: 26 -0.597298904334E+02 -0.38957E-03 -0.28327E-04 672 0.322E-02 0.254E-01
DAV: 27 -0.597297131695E+02 0.17726E-03 -0.45523E-04 614 0.336E-02 0.108E-01
DAV: 28 -0.597298981391E+02 -0.18497E-03 -0.13413E-05 640 0.261E-02 0.108E-01
DAV: 29 -0.597298750020E+02 0.23137E-04 -0.56837E-05 593 0.133E-02 0.316E-02
DAV: 30 -0.597299184983E+02 -0.43496E-04 -0.83632E-06 536 0.123E-02 0.918E-03
DAV: 31 -0.597299238096E+02 -0.53113E-05 -0.49188E-07 548 0.272E-03
1 F= -.59729924E+02 E0= -.59714671E+02 d E =-.457599E-01