./iterations/neb0_image02_iter3_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 0.800168930471E+03 0.80017E+03 -0.25745E+04 896 0.101E+03
DAV: 2 0.108693076593E+03 -0.69148E+03 -0.67615E+03 1131 0.280E+02
DAV: 3 -0.587071653533E+02 -0.16740E+03 -0.16681E+03 840 0.154E+02
DAV: 4 -0.640160915468E+02 -0.53089E+01 -0.52834E+01 904 0.297E+01
DAV: 5 -0.640757525533E+02 -0.59661E-01 -0.59558E-01 839 0.326E+00 0.204E+01
DAV: 6 -0.589620590947E+02 0.51137E+01 -0.17903E+01 864 0.212E+01 0.110E+01
DAV: 7 -0.588541944672E+02 0.10786E+00 -0.16217E+00 849 0.534E+00 0.103E+01
DAV: 8 -0.589952158913E+02 -0.14102E+00 -0.78431E+00 923 0.712E+00 0.494E+00
DAV: 9 -0.590195526438E+02 -0.24337E-01 -0.18319E-01 856 0.287E+00 0.321E+00
DAV: 10 -0.588980868710E+02 0.12147E+00 -0.88899E-02 795 0.206E+00 0.212E+00
DAV: 11 -0.588314628948E+02 0.66624E-01 -0.54880E-02 859 0.153E+00 0.157E+00
DAV: 12 -0.588128853544E+02 0.18578E-01 -0.51269E-03 928 0.530E-01 0.145E+00
DAV: 13 -0.587712969177E+02 0.41588E-01 -0.13276E-02 977 0.106E+00 0.117E+00
DAV: 14 -0.587224359917E+02 0.48861E-01 -0.29096E-02 918 0.139E+00 0.141E+00
DAV: 15 -0.587388490514E+02 -0.16413E-01 -0.70108E-03 829 0.573E-01 0.968E-01
DAV: 16 -0.587787029398E+02 -0.39854E-01 -0.20900E-02 847 0.117E+00 0.121E+00
DAV: 17 -0.588299965714E+02 -0.51294E-01 -0.23583E-02 987 0.121E+00 0.155E+00
DAV: 18 -0.588767634151E+02 -0.46767E-01 -0.13464E-02 987 0.980E-01 0.180E+00
DAV: 19 -0.588922665833E+02 -0.15503E-01 -0.26587E-03 864 0.360E-01 0.188E+00
DAV: 20 -0.588839063948E+02 0.83602E-02 -0.30397E-04 849 0.149E-01 0.185E+00
DAV: 21 -0.588073544820E+02 0.76552E-01 -0.25703E-02 1046 0.149E+00 0.150E+00
DAV: 22 -0.587090308861E+02 0.98324E-01 -0.87487E-02 972 0.254E+00 0.104E+00
DAV: 23 -0.587215813734E+02 -0.12550E-01 -0.28722E-02 928 0.904E-01 0.260E+00
DAV: 24 -0.587357352239E+02 -0.14154E-01 -0.34022E-02 849 0.121E+00 0.108E+00
DAV: 25 -0.587377327583E+02 -0.19975E-02 -0.33064E-03 824 0.373E-01 0.133E+00
DAV: 26 -0.587061978861E+02 0.31535E-01 -0.64598E-03 918 0.699E-01 0.444E-01
DAV: 27 -0.587103010712E+02 -0.41032E-02 -0.20020E-03 876 0.239E-01 0.285E-01
DAV: 28 -0.587128868025E+02 -0.25857E-02 -0.65888E-04 852 0.165E-01 0.540E-01
DAV: 29 -0.587170065263E+02 -0.41197E-02 -0.23112E-03 884 0.317E-01 0.149E+00
DAV: 30 -0.587074117522E+02 0.95948E-02 -0.27202E-03 845 0.341E-01 0.633E-01
DAV: 31 -0.587199978875E+02 -0.12586E-01 -0.30870E-03 874 0.377E-01 0.184E+00
DAV: 32 -0.587041411221E+02 0.15857E-01 -0.32675E-03 835 0.367E-01 0.591E-01
DAV: 33 -0.587150921845E+02 -0.10951E-01 -0.15545E-03 840 0.286E-01 0.106E+00
DAV: 34 -0.587085164252E+02 0.65758E-02 -0.82461E-04 819 0.193E-01 0.190E-01
DAV: 35 -0.587127098191E+02 -0.41934E-02 -0.23362E-04 834 0.115E-01 0.394E-01
DAV: 36 -0.587116260337E+02 0.10838E-02 -0.10004E-04 861 0.692E-02 0.372E-02
DAV: 37 -0.587122687403E+02 -0.64271E-03 -0.23043E-05 662 0.349E-02 0.411E-02
DAV: 38 -0.587124590862E+02 -0.19035E-03 -0.55494E-05 770 0.485E-02 0.216E-01
DAV: 39 -0.587121305090E+02 0.32858E-03 -0.32440E-05 727 0.408E-02 0.400E-02
DAV: 40 -0.587122827118E+02 -0.15220E-03 -0.35104E-06 508 0.121E-02 0.250E-02
DAV: 41 -0.587123277765E+02 -0.45065E-04 -0.23194E-06 460 0.111E-02 0.830E-02
DAV: 42 -0.587122916067E+02 0.36170E-04 -0.76581E-07 492 0.594E-03 0.729E-02
DAV: 43 -0.587122959929E+02 -0.43861E-05 -0.11998E-05 573 0.244E-02
1 F= -.58712296E+02 E0= -.58711581E+02 d E =-.214458E-02