./iterations/neb0_image09_iter17_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 0.798953895861E+03 0.79895E+03 -0.25971E+04 912 0.101E+03
DAV: 2 0.101403454530E+03 -0.69755E+03 -0.68065E+03 1096 0.283E+02
DAV: 3 -0.633957440834E+02 -0.16480E+03 -0.16444E+03 814 0.155E+02
DAV: 4 -0.680537073412E+02 -0.46580E+01 -0.46415E+01 920 0.292E+01
DAV: 5 -0.681068665898E+02 -0.53159E-01 -0.53009E-01 907 0.312E+00 0.200E+01
DAV: 6 -0.634669052906E+02 0.46400E+01 -0.18816E+01 870 0.220E+01 0.110E+01
DAV: 7 -0.633135595026E+02 0.15335E+00 -0.97826E-01 944 0.556E+00 0.398E+00
DAV: 8 -0.633108261570E+02 0.27333E-02 -0.89471E-02 923 0.193E+00 0.137E+00
DAV: 9 -0.633206953746E+02 -0.98692E-02 -0.18183E-02 928 0.964E-01 0.316E-01
DAV: 10 -0.633224500184E+02 -0.17546E-02 -0.47144E-03 918 0.511E-01 0.154E-01
DAV: 11 -0.633233669880E+02 -0.91697E-03 -0.58387E-04 859 0.179E-01 0.733E-02
DAV: 12 -0.633246015673E+02 -0.12346E-02 -0.29179E-04 857 0.130E-01 0.301E-02
DAV: 13 -0.633254775583E+02 -0.87599E-03 -0.13814E-04 875 0.979E-02 0.284E-02
DAV: 14 -0.633261927211E+02 -0.71516E-03 -0.11609E-04 791 0.750E-02 0.133E-02
DAV: 15 -0.633265258249E+02 -0.33310E-03 -0.37685E-05 769 0.426E-02 0.639E-03
DAV: 16 -0.633267347637E+02 -0.20894E-03 -0.13473E-05 617 0.190E-02 0.451E-03
DAV: 17 -0.633268683962E+02 -0.13363E-03 -0.11010E-05 684 0.171E-02 0.338E-03
DAV: 18 -0.633269248873E+02 -0.56491E-04 -0.24898E-06 628 0.875E-03 0.129E-03
DAV: 19 -0.633269610056E+02 -0.36118E-04 -0.27109E-06 596 0.771E-03 0.149E-03
DAV: 20 -0.633269685101E+02 -0.75045E-05 -0.44320E-07 475 0.476E-03
1 F= -.63326969E+02 E0= -.63330834E+02 d E =0.115964E-01