./iterations/neb0_image09_iter29_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 0.797172748075E+03 0.79717E+03 -0.25953E+04 912 0.101E+03
DAV: 2 0.101292640268E+03 -0.69588E+03 -0.67869E+03 1096 0.282E+02
DAV: 3 -0.634424159721E+02 -0.16474E+03 -0.16439E+03 822 0.155E+02
DAV: 4 -0.680818252390E+02 -0.46394E+01 -0.46218E+01 888 0.291E+01
DAV: 5 -0.681373505921E+02 -0.55525E-01 -0.55362E-01 915 0.317E+00 0.196E+01
DAV: 6 -0.635256722872E+02 0.46117E+01 -0.18801E+01 867 0.219E+01 0.107E+01
DAV: 7 -0.633779853104E+02 0.14769E+00 -0.93598E-01 960 0.540E+00 0.397E+00
DAV: 8 -0.633769102712E+02 0.10750E-02 -0.88602E-02 912 0.194E+00 0.136E+00
DAV: 9 -0.633883754909E+02 -0.11465E-01 -0.18353E-02 918 0.897E-01 0.324E-01
DAV: 10 -0.633902156609E+02 -0.18402E-02 -0.40925E-03 928 0.480E-01 0.161E-01
DAV: 11 -0.633912585652E+02 -0.10429E-02 -0.52661E-04 854 0.160E-01 0.741E-02
DAV: 12 -0.633924802485E+02 -0.12217E-02 -0.30979E-04 854 0.127E-01 0.283E-02
DAV: 13 -0.633933716990E+02 -0.89145E-03 -0.11042E-04 865 0.830E-02 0.296E-02
DAV: 14 -0.633940393922E+02 -0.66769E-03 -0.11514E-04 801 0.737E-02 0.146E-02
DAV: 15 -0.633943589447E+02 -0.31955E-03 -0.30652E-05 835 0.380E-02 0.563E-03
DAV: 16 -0.633945362265E+02 -0.17728E-03 -0.12499E-05 607 0.188E-02 0.419E-03
DAV: 17 -0.633946409354E+02 -0.10471E-03 -0.63465E-06 662 0.139E-02 0.240E-03
DAV: 18 -0.633946939885E+02 -0.53053E-04 -0.30521E-06 641 0.643E-03 0.148E-03
DAV: 19 -0.633947294591E+02 -0.35471E-04 -0.23906E-06 609 0.902E-03 0.118E-03
DAV: 20 -0.633947357205E+02 -0.62614E-05 -0.55831E-07 528 0.371E-03
1 F= -.63394736E+02 E0= -.63398601E+02 d E =0.115965E-01