./iterations/neb0_image04_iter37_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 0.793856677030E+03 0.79386E+03 -0.25913E+04 912 0.101E+03
DAV: 2 0.103858396814E+03 -0.69000E+03 -0.67080E+03 1096 0.280E+02
DAV: 3 -0.597609261502E+02 -0.16362E+03 -0.16288E+03 849 0.155E+02
DAV: 4 -0.646152083973E+02 -0.48543E+01 -0.48379E+01 840 0.288E+01
DAV: 5 -0.646954611908E+02 -0.80253E-01 -0.80034E-01 881 0.344E+00 0.207E+01
DAV: 6 -0.655775491301E+02 -0.88209E+00 -0.13707E+02 864 0.396E+01 0.204E+01
DAV: 7 -0.592709423220E+02 0.63066E+01 -0.14049E+01 976 0.150E+01 0.114E+01
DAV: 8 -0.606889685133E+02 -0.14180E+01 -0.37362E+01 904 0.184E+01 0.124E+01
DAV: 9 -0.588438741706E+02 0.18451E+01 -0.89219E+00 1008 0.106E+01 0.694E+00
DAV: 10 -0.600067574678E+02 -0.11629E+01 -0.19996E+01 832 0.558E+00 0.113E+01
DAV: 11 -0.586843230152E+02 0.13224E+01 -0.35213E+00 1024 0.721E+00 0.188E+00
DAV: 12 -0.588268931076E+02 -0.14257E+00 -0.79131E-01 904 0.194E+00 0.416E+00
DAV: 13 -0.587672328707E+02 0.59660E-01 -0.13224E-01 790 0.191E+00 0.237E+00
DAV: 14 -0.587787549829E+02 -0.11522E-01 -0.41889E-01 891 0.127E+00 0.239E+00
DAV: 15 -0.587793088049E+02 -0.55382E-03 -0.59777E-02 839 0.418E-01 0.730E-01
DAV: 16 -0.587874564634E+02 -0.81477E-02 -0.17325E-02 803 0.455E-01 0.157E+00
DAV: 17 -0.587788046656E+02 0.86518E-02 -0.58574E-02 912 0.543E-01 0.243E-01
DAV: 18 -0.587913417437E+02 -0.12537E-01 -0.42669E-02 913 0.337E-01 0.140E+00
DAV: 19 -0.587838582298E+02 0.74835E-02 -0.15505E-02 859 0.190E-01 0.518E-01
DAV: 20 -0.587915184970E+02 -0.76603E-02 -0.43468E-02 907 0.229E-01 0.112E+00
DAV: 21 -0.587977552501E+02 -0.62368E-02 -0.16944E-02 907 0.278E-01 0.198E+00
DAV: 22 -0.587855668482E+02 0.12188E-01 -0.66008E-03 891 0.196E-01 0.147E+00
DAV: 23 -0.587836248343E+02 0.19420E-02 -0.77923E-03 992 0.117E-01 0.832E-01
DAV: 24 -0.587879266849E+02 -0.43019E-02 -0.10002E-02 865 0.162E-01 0.162E-01
DAV: 25 -0.587927199329E+02 -0.47932E-02 -0.32481E-04 798 0.875E-02 0.495E-02
DAV: 26 -0.587935299744E+02 -0.81004E-03 -0.24500E-04 665 0.537E-02 0.893E-02
DAV: 27 -0.587936186385E+02 -0.88664E-04 -0.12570E-04 640 0.293E-02 0.159E-01
DAV: 28 -0.587935806987E+02 0.37940E-04 -0.66708E-04 583 0.282E-02 0.382E-02
DAV: 29 -0.587937217382E+02 -0.14104E-03 -0.76210E-06 616 0.182E-02 0.332E-02
DAV: 30 -0.587937330774E+02 -0.11339E-04 -0.35267E-05 517 0.896E-03 0.124E-02
DAV: 31 -0.587937444065E+02 -0.11329E-04 -0.12270E-06 558 0.528E-03 0.609E-03
DAV: 32 -0.587937481879E+02 -0.37814E-05 -0.23367E-06 482 0.294E-03
1 F= -.58793748E+02 E0= -.58813901E+02 d E =0.604599E-01