./iterations/neb0_image09_iter24_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 0.797378390002E+03 0.79738E+03 -0.25952E+04 912 0.101E+03
DAV: 2 0.100548819335E+03 -0.69683E+03 -0.67984E+03 1104 0.282E+02
DAV: 3 -0.634300711691E+02 -0.16398E+03 -0.16361E+03 819 0.155E+02
DAV: 4 -0.680505343043E+02 -0.46205E+01 -0.46025E+01 904 0.291E+01
DAV: 5 -0.681049574500E+02 -0.54423E-01 -0.54288E-01 918 0.314E+00 0.196E+01
DAV: 6 -0.634819461393E+02 0.46230E+01 -0.18845E+01 843 0.219E+01 0.108E+01
DAV: 7 -0.633297696124E+02 0.15218E+00 -0.93937E-01 923 0.537E+00 0.397E+00
DAV: 8 -0.633270015198E+02 0.27681E-02 -0.86521E-02 854 0.194E+00 0.137E+00
DAV: 9 -0.633375323540E+02 -0.10531E-01 -0.19652E-02 928 0.967E-01 0.331E-01
DAV: 10 -0.633395269977E+02 -0.19946E-02 -0.49665E-03 918 0.529E-01 0.158E-01
DAV: 11 -0.633405076919E+02 -0.98069E-03 -0.60963E-04 864 0.182E-01 0.753E-02
DAV: 12 -0.633418838485E+02 -0.13762E-02 -0.35929E-04 849 0.140E-01 0.307E-02
DAV: 13 -0.633429442304E+02 -0.10604E-02 -0.16102E-04 852 0.967E-02 0.335E-02
DAV: 14 -0.633437549364E+02 -0.81071E-03 -0.15198E-04 857 0.766E-02 0.164E-02
DAV: 15 -0.633441468441E+02 -0.39191E-03 -0.44958E-05 811 0.444E-02 0.604E-03
DAV: 16 -0.633443479459E+02 -0.20110E-03 -0.14311E-05 617 0.195E-02 0.507E-03
DAV: 17 -0.633444793409E+02 -0.13140E-03 -0.98088E-06 622 0.164E-02 0.301E-03
DAV: 18 -0.633445424460E+02 -0.63105E-04 -0.36753E-06 628 0.860E-03 0.139E-03
DAV: 19 -0.633445825431E+02 -0.40097E-04 -0.30531E-06 599 0.868E-03 0.154E-03
DAV: 20 -0.633445881363E+02 -0.55932E-05 -0.59843E-07 480 0.497E-03
1 F= -.63344588E+02 E0= -.63348454E+02 d E =0.115965E-01