iterations/neb0_image09_iter46_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 0.140142058176E+04 0.14014E+04 -0.43792E+04 330 0.697E+02
DAV: 2 0.227837272657E+03 -0.11736E+04 -0.11028E+04 417 0.160E+02
DAV: 3 -0.336856821601E+03 -0.56469E+03 -0.55781E+03 354 0.112E+02
DAV: 4 -0.409046514492E+03 -0.72190E+02 -0.71589E+02 309 0.495E+01
DAV: 5 -0.410866576530E+03 -0.18201E+01 -0.18145E+01 327 0.809E+00 0.409E+01
DAV: 6 -0.368486506201E+03 0.42380E+02 -0.15213E+02 318 0.297E+01 0.208E+01
DAV: 7 -0.366106476805E+03 0.23800E+01 -0.25225E+01 336 0.894E+00 0.111E+01
DAV: 8 -0.364360020778E+03 0.17465E+01 -0.55020E+00 354 0.509E+00 0.595E+00
DAV: 9 -0.363694561883E+03 0.66546E+00 -0.15748E+00 327 0.257E+00 0.165E+00
DAV: 10 -0.363551464189E+03 0.14310E+00 -0.21734E-01 327 0.120E+00 0.795E-01
DAV: 11 -0.363513577355E+03 0.37887E-01 -0.63023E-02 327 0.650E-01 0.534E-01
DAV: 12 -0.363493684602E+03 0.19893E-01 -0.15840E-02 336 0.418E-01 0.263E-01
DAV: 13 -0.363485992827E+03 0.76918E-02 -0.11116E-02 318 0.347E-01 0.169E-01
DAV: 14 -0.363494007613E+03 -0.80148E-02 -0.90607E-03 327 0.318E-01 0.117E-01
DAV: 15 -0.363506550193E+03 -0.12543E-01 -0.45231E-03 309 0.225E-01 0.735E-02
DAV: 16 -0.363514646085E+03 -0.80959E-02 -0.29481E-03 336 0.151E-01 0.475E-02
DAV: 17 -0.363522046647E+03 -0.74006E-02 -0.69879E-04 327 0.719E-02 0.350E-02
DAV: 18 -0.363529250604E+03 -0.72040E-02 -0.37495E-04 318 0.397E-02 0.193E-02
DAV: 19 -0.363534040141E+03 -0.47895E-02 -0.25649E-04 300 0.290E-02 0.140E-02
DAV: 20 -0.363536555243E+03 -0.25151E-02 -0.12744E-04 318 0.227E-02 0.885E-03
DAV: 21 -0.363538094550E+03 -0.15393E-02 -0.66534E-05 282 0.147E-02 0.644E-03
DAV: 22 -0.363538967428E+03 -0.87288E-03 -0.45544E-05 282 0.120E-02 0.392E-03
DAV: 23 -0.363539261915E+03 -0.29449E-03 -0.84378E-06 228 0.653E-03 0.257E-03
DAV: 24 -0.363539412663E+03 -0.15075E-03 -0.58293E-06 210 0.507E-03 0.220E-03
DAV: 25 -0.363539493264E+03 -0.80601E-04 -0.26768E-06 228 0.453E-03 0.130E-03
DAV: 26 -0.363539561256E+03 -0.67992E-04 -0.29958E-06 210 0.372E-03 0.145E-03
DAV: 27 -0.363539586800E+03 -0.25544E-04 -0.13668E-06 228 0.245E-03 0.906E-04
DAV: 28 -0.363539601148E+03 -0.14348E-04 -0.92270E-07 228 0.219E-03 0.673E-04
DAV: 29 -0.363539609044E+03 -0.78959E-05 -0.41213E-07 219 0.130E-03
1 F= -.36353961E+03 E0= -.36354347E+03 d E =0.115958E-01