iterations/neb0_image09_iter51_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.143578649751E+04 0.14358E+04 -0.44129E+04 330 0.697E+02
DAV: 2 0.231333670059E+03 -0.12045E+04 -0.11294E+04 417 0.162E+02
DAV: 3 -0.355210927341E+03 -0.58654E+03 -0.58256E+03 354 0.114E+02
DAV: 4 -0.425220641997E+03 -0.70010E+02 -0.69664E+02 309 0.498E+01
DAV: 5 -0.426884958152E+03 -0.16643E+01 -0.16612E+01 336 0.789E+00 0.420E+01
DAV: 6 -0.382584199808E+03 0.44301E+02 -0.14747E+02 309 0.285E+01 0.206E+01
DAV: 7 -0.379315562902E+03 0.32686E+01 -0.11557E+01 327 0.786E+00 0.102E+01
DAV: 8 -0.377882717461E+03 0.14328E+01 -0.18254E+00 327 0.376E+00 0.418E+00
DAV: 9 -0.377336611070E+03 0.54611E+00 -0.58581E-01 327 0.187E+00 0.905E-01
DAV: 10 -0.377282938661E+03 0.53672E-01 -0.88626E-02 354 0.878E-01 0.628E-01
DAV: 11 -0.377251090882E+03 0.31848E-01 -0.21331E-02 327 0.432E-01 0.364E-01
DAV: 12 -0.377231852436E+03 0.19238E-01 -0.15029E-02 309 0.390E-01 0.190E-01
DAV: 13 -0.377230851925E+03 0.10005E-02 -0.13728E-02 327 0.402E-01 0.139E-01
DAV: 14 -0.377246467586E+03 -0.15616E-01 -0.89505E-03 300 0.331E-01 0.832E-02
DAV: 15 -0.377255017170E+03 -0.85496E-02 -0.34417E-03 318 0.174E-01 0.650E-02
DAV: 16 -0.377262967440E+03 -0.79503E-02 -0.82394E-04 336 0.711E-02 0.463E-02
DAV: 17 -0.377271978535E+03 -0.90111E-02 -0.46750E-04 327 0.495E-02 0.266E-02
DAV: 18 -0.377276536351E+03 -0.45578E-02 -0.18663E-04 336 0.303E-02 0.196E-02
DAV: 19 -0.377281742164E+03 -0.52058E-02 -0.35141E-04 300 0.372E-02 0.120E-02
DAV: 20 -0.377283003180E+03 -0.12610E-02 -0.43247E-05 291 0.138E-02 0.103E-02
DAV: 21 -0.377284286352E+03 -0.12832E-02 -0.66382E-05 291 0.183E-02 0.564E-03
DAV: 22 -0.377284861043E+03 -0.57469E-03 -0.18162E-05 246 0.934E-03 0.428E-03
DAV: 23 -0.377285152919E+03 -0.29188E-03 -0.10091E-05 210 0.703E-03 0.285E-03
DAV: 24 -0.377285290002E+03 -0.13708E-03 -0.52250E-06 228 0.527E-03 0.180E-03
DAV: 25 -0.377285385041E+03 -0.95039E-04 -0.39807E-06 210 0.492E-03 0.149E-03
DAV: 26 -0.377285408253E+03 -0.23212E-04 -0.16425E-06 228 0.276E-03 0.124E-03
DAV: 27 -0.377285432150E+03 -0.23896E-04 -0.10960E-06 192 0.237E-03 0.562E-04
DAV: 28 -0.377285445646E+03 -0.13497E-04 -0.79746E-07 219 0.200E-03 0.906E-04
DAV: 29 -0.377285448822E+03 -0.31755E-05 -0.25191E-07 228 0.127E-03
1 F= -.37728545E+03 E0= -.37728931E+03 d E =0.115958E-01