iterations/neb0_image08_iter45_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 0.143517851533E+04 0.14352E+04 -0.44142E+04 330 0.697E+02
DAV: 2 0.231837622403E+03 -0.12033E+04 -0.11286E+04 417 0.162E+02
DAV: 3 -0.353300426961E+03 -0.58514E+03 -0.58114E+03 354 0.113E+02
DAV: 4 -0.423811413796E+03 -0.70511E+02 -0.70156E+02 309 0.497E+01
DAV: 5 -0.425507261482E+03 -0.16958E+01 -0.16916E+01 336 0.792E+00 0.419E+01
DAV: 6 -0.381531485280E+03 0.43976E+02 -0.14614E+02 309 0.284E+01 0.205E+01
DAV: 7 -0.378276876905E+03 0.32546E+01 -0.11595E+01 345 0.781E+00 0.102E+01
DAV: 8 -0.376868950326E+03 0.14079E+01 -0.17785E+00 327 0.371E+00 0.415E+00
DAV: 9 -0.376334116733E+03 0.53483E+00 -0.59003E-01 327 0.191E+00 0.933E-01
DAV: 10 -0.376284455014E+03 0.49662E-01 -0.91724E-02 336 0.897E-01 0.646E-01
DAV: 11 -0.376254573021E+03 0.29882E-01 -0.24749E-02 327 0.441E-01 0.397E-01
DAV: 12 -0.376234379752E+03 0.20193E-01 -0.14494E-02 336 0.376E-01 0.213E-01
DAV: 13 -0.376230500478E+03 0.38793E-02 -0.12871E-02 318 0.371E-01 0.147E-01
DAV: 14 -0.376239849259E+03 -0.93488E-02 -0.82217E-03 318 0.305E-01 0.999E-02
DAV: 15 -0.376252585279E+03 -0.12736E-01 -0.40745E-03 309 0.209E-01 0.593E-02
DAV: 16 -0.376261775417E+03 -0.91901E-02 -0.18126E-03 327 0.117E-01 0.517E-02
DAV: 17 -0.376268354463E+03 -0.65790E-02 -0.28739E-04 327 0.391E-02 0.356E-02
DAV: 18 -0.376277317749E+03 -0.89633E-02 -0.67801E-04 318 0.528E-02 0.240E-02
DAV: 19 -0.376279983698E+03 -0.26659E-02 -0.11975E-04 345 0.256E-02 0.189E-02
DAV: 20 -0.376282095805E+03 -0.21121E-02 -0.11376E-04 318 0.259E-02 0.108E-02
DAV: 21 -0.376283395859E+03 -0.13001E-02 -0.37355E-05 273 0.124E-02 0.891E-03
DAV: 22 -0.376284426052E+03 -0.10302E-02 -0.41921E-05 273 0.132E-02 0.423E-03
DAV: 23 -0.376284960494E+03 -0.53444E-03 -0.21332E-05 246 0.103E-02 0.382E-03
DAV: 24 -0.376285121844E+03 -0.16135E-03 -0.40472E-06 228 0.562E-03 0.258E-03
DAV: 25 -0.376285252119E+03 -0.13028E-03 -0.55323E-06 201 0.554E-03 0.187E-03
DAV: 26 -0.376285328026E+03 -0.75907E-04 -0.26316E-06 219 0.382E-03 0.152E-03
DAV: 27 -0.376285357840E+03 -0.29814E-04 -0.13998E-06 228 0.278E-03 0.875E-04
DAV: 28 -0.376285372576E+03 -0.14736E-04 -0.91197E-07 210 0.232E-03 0.678E-04
DAV: 29 -0.376285381742E+03 -0.91658E-05 -0.39618E-07 219 0.121E-03
1 F= -.37628538E+03 E0= -.37629422E+03 d E =0.265006E-01