./iterations/neb0_image09_iter77_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 0.798153468458E+03 0.79815E+03 -0.25971E+04 912 0.101E+03
DAV: 2 0.102243087179E+03 -0.69591E+03 -0.67896E+03 1096 0.282E+02
DAV: 3 -0.635356006698E+02 -0.16578E+03 -0.16545E+03 835 0.155E+02
DAV: 4 -0.681382362479E+02 -0.46026E+01 -0.45870E+01 896 0.291E+01
DAV: 5 -0.681920748958E+02 -0.53839E-01 -0.53699E-01 918 0.313E+00 0.198E+01
DAV: 6 -0.636204831688E+02 0.45716E+01 -0.18782E+01 830 0.217E+01 0.109E+01
DAV: 7 -0.634746955288E+02 0.14579E+00 -0.92199E-01 963 0.527E+00 0.398E+00
DAV: 8 -0.634734775274E+02 0.12180E-02 -0.88771E-02 888 0.195E+00 0.135E+00
DAV: 9 -0.634841990511E+02 -0.10722E-01 -0.17341E-02 918 0.868E-01 0.317E-01
DAV: 10 -0.634863270832E+02 -0.21280E-02 -0.41096E-03 923 0.436E-01 0.151E-01
DAV: 11 -0.634872990549E+02 -0.97197E-03 -0.49169E-04 864 0.161E-01 0.712E-02
DAV: 12 -0.634887203672E+02 -0.14213E-02 -0.32619E-04 849 0.130E-01 0.323E-02
DAV: 13 -0.634896055998E+02 -0.88523E-03 -0.13100E-04 819 0.750E-02 0.295E-02
DAV: 14 -0.634902546928E+02 -0.64909E-03 -0.79523E-05 793 0.493E-02 0.124E-02
DAV: 15 -0.634905105248E+02 -0.25583E-03 -0.21891E-05 699 0.325E-02 0.547E-03
DAV: 16 -0.634907105162E+02 -0.19999E-03 -0.15044E-05 591 0.203E-02 0.414E-03
DAV: 17 -0.634908319156E+02 -0.12140E-03 -0.66836E-06 625 0.121E-02 0.244E-03
DAV: 18 -0.634908856389E+02 -0.53723E-04 -0.28741E-06 646 0.622E-03 0.114E-03
DAV: 19 -0.634909146634E+02 -0.29024E-04 -0.16895E-06 614 0.572E-03 0.116E-03
DAV: 20 -0.634909223065E+02 -0.76431E-05 -0.44274E-07 566 0.281E-03
1 F= -.63490922E+02 E0= -.63494788E+02 d E =0.115964E-01