./iterations/neb0_image03_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 0.792901924962E+03 0.79290E+03 -0.25905E+04 912 0.101E+03
DAV: 2 0.101244566422E+03 -0.69166E+03 -0.67260E+03 1120 0.280E+02
DAV: 3 -0.593761562887E+02 -0.16062E+03 -0.16015E+03 816 0.154E+02
DAV: 4 -0.639709857169E+02 -0.45948E+01 -0.45587E+01 840 0.288E+01
DAV: 5 -0.640542024408E+02 -0.83217E-01 -0.83074E-01 849 0.357E+00 0.202E+01
DAV: 6 -0.619260111583E+02 0.21282E+01 -0.50454E+01 864 0.259E+01 0.176E+01
DAV: 7 -0.605610918934E+02 0.13649E+01 -0.60475E+01 1051 0.227E+01 0.112E+01
DAV: 8 -0.598278578745E+02 0.73323E+00 -0.11545E+00 859 0.606E+00 0.701E+00
DAV: 9 -0.592205373062E+02 0.60732E+00 -0.94781E-01 840 0.789E+00 0.451E+00
DAV: 10 -0.591284660261E+02 0.92071E-01 -0.22596E+00 856 0.390E+00 0.595E+00
DAV: 11 -0.592546837655E+02 -0.12622E+00 -0.51175E+00 992 0.413E+00 0.380E+00
DAV: 12 -0.591306874972E+02 0.12400E+00 -0.16777E-01 862 0.162E+00 0.301E+00
DAV: 13 -0.591404093266E+02 -0.97218E-02 -0.12266E+00 923 0.209E+00 0.548E+00
DAV: 14 -0.590820161461E+02 0.58393E-01 -0.12764E+00 982 0.156E+00 0.224E+00
DAV: 15 -0.591074828712E+02 -0.25467E-01 -0.62868E-02 779 0.540E-01 0.485E-01
DAV: 16 -0.591118467660E+02 -0.43639E-02 -0.95081E-04 859 0.158E-01 0.350E-01
DAV: 17 -0.591143785797E+02 -0.25318E-02 -0.55047E-03 982 0.163E-01 0.208E-01
DAV: 18 -0.591157888666E+02 -0.14103E-02 -0.20959E-04 888 0.845E-02 0.265E-01
DAV: 19 -0.591157313917E+02 0.57475E-04 -0.59617E-04 834 0.602E-02 0.899E-02
DAV: 20 -0.591161426772E+02 -0.41129E-03 -0.45474E-05 635 0.300E-02 0.484E-02
DAV: 21 -0.591163032078E+02 -0.16053E-03 -0.97355E-06 591 0.153E-02 0.357E-02
DAV: 22 -0.591163741218E+02 -0.70914E-04 -0.11848E-05 601 0.100E-02 0.152E-02
DAV: 23 -0.591164209047E+02 -0.46783E-04 -0.26992E-05 575 0.110E-02 0.222E-02
DAV: 24 -0.591164301733E+02 -0.92686E-05 -0.54509E-06 480 0.699E-03
1 F= -.59116430E+02 E0= -.59118240E+02 d E =0.542909E-02