./iterations/neb0_image08_iter23_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 0.800552139872E+03 0.80055E+03 -0.25956E+04 912 0.101E+03
DAV: 2 0.103468876941E+03 -0.69708E+03 -0.67907E+03 1096 0.282E+02
DAV: 3 -0.626835756746E+02 -0.16615E+03 -0.16572E+03 806 0.156E+02
DAV: 4 -0.676074537843E+02 -0.49239E+01 -0.49032E+01 928 0.297E+01
DAV: 5 -0.676617873178E+02 -0.54334E-01 -0.54169E-01 896 0.317E+00 0.198E+01
DAV: 6 -0.628777839900E+02 0.47840E+01 -0.19012E+01 846 0.232E+01 0.108E+01
DAV: 7 -0.627127235010E+02 0.16506E+00 -0.10576E+00 920 0.617E+00 0.401E+00
DAV: 8 -0.627012845775E+02 0.11439E-01 -0.97808E-02 928 0.218E+00 0.140E+00
DAV: 9 -0.627071841631E+02 -0.58996E-02 -0.21286E-02 928 0.117E+00 0.336E-01
DAV: 10 -0.627082876350E+02 -0.11035E-02 -0.70310E-03 918 0.716E-01 0.171E-01
DAV: 11 -0.627090197780E+02 -0.73214E-03 -0.95674E-04 867 0.252E-01 0.787E-02
DAV: 12 -0.627101954274E+02 -0.11756E-02 -0.41491E-04 874 0.190E-01 0.360E-02
DAV: 13 -0.627113420132E+02 -0.11466E-02 -0.28743E-04 894 0.167E-01 0.412E-02
DAV: 14 -0.627126510786E+02 -0.13091E-02 -0.34684E-04 784 0.152E-01 0.174E-02
DAV: 15 -0.627132378405E+02 -0.58676E-03 -0.77079E-05 905 0.575E-02 0.101E-02
DAV: 16 -0.627134914966E+02 -0.25366E-03 -0.21028E-05 659 0.299E-02 0.663E-03
DAV: 17 -0.627136689935E+02 -0.17750E-03 -0.92663E-06 604 0.166E-02 0.363E-03
DAV: 18 -0.627138142973E+02 -0.14530E-03 -0.11737E-05 601 0.155E-02 0.305E-03
DAV: 19 -0.627138549076E+02 -0.40610E-04 -0.26933E-06 624 0.102E-02 0.112E-03
DAV: 20 -0.627138766346E+02 -0.21727E-04 -0.16229E-06 596 0.558E-03 0.121E-03
DAV: 21 -0.627138845718E+02 -0.79372E-05 -0.48432E-07 502 0.461E-03
1 F= -.62713885E+02 E0= -.62717750E+02 d E =0.115963E-01