iterations/neb0_image07_iter47_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 0.143469185258E+04 0.14347E+04 -0.44147E+04 330 0.697E+02
DAV: 2 0.235180831959E+03 -0.11995E+04 -0.11251E+04 408 0.162E+02
DAV: 3 -0.361762069374E+03 -0.59694E+03 -0.59289E+03 372 0.115E+02
DAV: 4 -0.428311643093E+03 -0.66550E+02 -0.66267E+02 309 0.472E+01
DAV: 5 -0.429790644169E+03 -0.14790E+01 -0.14759E+01 336 0.736E+00 0.420E+01
DAV: 6 -0.385388728990E+03 0.44402E+02 -0.14712E+02 309 0.285E+01 0.205E+01
DAV: 7 -0.382137462609E+03 0.32513E+01 -0.12610E+01 327 0.784E+00 0.103E+01
DAV: 8 -0.380701960663E+03 0.14355E+01 -0.20244E+00 336 0.391E+00 0.430E+00
DAV: 9 -0.380158446498E+03 0.54351E+00 -0.81902E-01 318 0.197E+00 0.146E+00
DAV: 10 -0.380102820561E+03 0.55626E-01 -0.81877E-01 390 0.114E+00 0.874E-01
DAV: 11 -0.380071645913E+03 0.31175E-01 -0.56022E-02 309 0.576E-01 0.713E-01
DAV: 12 -0.380061403733E+03 0.10242E-01 -0.38308E-02 372 0.429E-01 0.643E-01
DAV: 13 -0.380031573778E+03 0.29830E-01 -0.39200E-02 309 0.480E-01 0.316E-01
DAV: 14 -0.380028856264E+03 0.27175E-02 -0.18934E-02 363 0.354E-01 0.395E-01
DAV: 15 -0.380028625333E+03 0.23093E-03 -0.69820E-03 318 0.248E-01 0.234E-01
DAV: 16 -0.380035954466E+03 -0.73291E-02 -0.80791E-03 291 0.273E-01 0.154E-01
DAV: 17 -0.380042905013E+03 -0.69505E-02 -0.31310E-03 327 0.174E-01 0.959E-02
DAV: 18 -0.380051311776E+03 -0.84068E-02 -0.17158E-03 300 0.123E-01 0.101E-01
DAV: 19 -0.380060724242E+03 -0.94125E-02 -0.96126E-04 327 0.971E-02 0.569E-02
DAV: 20 -0.380066241921E+03 -0.55177E-02 -0.57578E-04 336 0.671E-02 0.310E-02
DAV: 21 -0.380070482070E+03 -0.42401E-02 -0.19146E-04 318 0.334E-02 0.310E-02
DAV: 22 -0.380074018763E+03 -0.35367E-02 -0.16478E-04 318 0.249E-02 0.137E-02
DAV: 23 -0.380076478562E+03 -0.24598E-02 -0.12832E-04 300 0.201E-02 0.106E-02
DAV: 24 -0.380077624863E+03 -0.11463E-02 -0.45306E-05 309 0.113E-02 0.876E-03
DAV: 25 -0.380078183007E+03 -0.55814E-03 -0.15965E-05 237 0.760E-03 0.405E-03
DAV: 26 -0.380078461177E+03 -0.27817E-03 -0.85103E-06 228 0.546E-03 0.234E-03
DAV: 27 -0.380078604905E+03 -0.14373E-03 -0.46514E-06 219 0.403E-03 0.126E-03
DAV: 28 -0.380078676972E+03 -0.72067E-04 -0.28416E-06 219 0.325E-03 0.213E-03
DAV: 29 -0.380078702282E+03 -0.25310E-04 -0.13002E-06 228 0.223E-03 0.118E-03
DAV: 30 -0.380078722421E+03 -0.20139E-04 -0.92745E-07 201 0.158E-03 0.748E-04
DAV: 31 -0.380078729916E+03 -0.74948E-05 -0.41819E-07 228 0.119E-03
1 F= -.38007873E+03 E0= -.38009619E+03 d E =0.523933E-01