iterations/neb0_image07_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 0.144028252335E+04 0.14403E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.237070293434E+03 -0.12032E+04 -0.11287E+04 408 0.162E+02
DAV: 3 -0.362725022336E+03 -0.59980E+03 -0.59569E+03 372 0.115E+02
DAV: 4 -0.429504229412E+03 -0.66779E+02 -0.66530E+02 309 0.473E+01
DAV: 5 -0.430974285732E+03 -0.14701E+01 -0.14667E+01 327 0.737E+00 0.423E+01
DAV: 6 -0.386010000702E+03 0.44964E+02 -0.14776E+02 309 0.286E+01 0.207E+01
DAV: 7 -0.382678726899E+03 0.33313E+01 -0.11964E+01 345 0.770E+00 0.103E+01
DAV: 8 -0.381202503947E+03 0.14762E+01 -0.19181E+00 327 0.387E+00 0.431E+00
DAV: 9 -0.380685346651E+03 0.51716E+00 -0.15605E+00 327 0.217E+00 0.118E+00
DAV: 10 -0.380611999197E+03 0.73347E-01 -0.20313E-01 327 0.106E+00 0.877E-01
DAV: 11 -0.380585004027E+03 0.26995E-01 -0.90306E-02 318 0.599E-01 0.741E-01
DAV: 12 -0.380557492672E+03 0.27511E-01 -0.78398E-02 363 0.671E-01 0.923E-01
DAV: 13 -0.380545749373E+03 0.11743E-01 -0.20000E-01 354 0.490E-01 0.416E-01
DAV: 14 -0.380534707683E+03 0.11042E-01 -0.18575E-02 309 0.400E-01 0.296E-01
DAV: 15 -0.380536778921E+03 -0.20712E-02 -0.95998E-03 318 0.282E-01 0.272E-01
DAV: 16 -0.380547134497E+03 -0.10356E-01 -0.79357E-03 291 0.257E-01 0.879E-02
DAV: 17 -0.380559014324E+03 -0.11880E-01 -0.43903E-03 318 0.204E-01 0.122E-01
DAV: 18 -0.380566760897E+03 -0.77466E-02 -0.12926E-03 327 0.990E-02 0.112E-01
DAV: 19 -0.380573059612E+03 -0.62987E-02 -0.29598E-04 336 0.421E-02 0.646E-02
DAV: 20 -0.380581024382E+03 -0.79648E-02 -0.11042E-03 318 0.595E-02 0.571E-02
DAV: 21 -0.380582707538E+03 -0.16832E-02 -0.15212E-04 336 0.298E-02 0.254E-02
DAV: 22 -0.380585148983E+03 -0.24414E-02 -0.13864E-04 300 0.257E-02 0.159E-02
DAV: 23 -0.380586336937E+03 -0.11880E-02 -0.64137E-05 300 0.136E-02 0.188E-02
DAV: 24 -0.380587335156E+03 -0.99822E-03 -0.58560E-05 282 0.143E-02 0.858E-03
DAV: 25 -0.380587722541E+03 -0.38738E-03 -0.12836E-05 237 0.764E-03 0.326E-03
DAV: 26 -0.380588004504E+03 -0.28196E-03 -0.11996E-05 228 0.619E-03 0.388E-03
DAV: 27 -0.380588138043E+03 -0.13354E-03 -0.35942E-06 219 0.426E-03 0.185E-03
DAV: 28 -0.380588205731E+03 -0.67687E-04 -0.27970E-06 219 0.316E-03 0.140E-03
DAV: 29 -0.380588237287E+03 -0.31557E-04 -0.10228E-06 219 0.197E-03 0.169E-03
DAV: 30 -0.380588258611E+03 -0.21324E-04 -0.87595E-07 201 0.197E-03 0.758E-04
DAV: 31 -0.380588270584E+03 -0.11973E-04 -0.55166E-07 219 0.152E-03 0.955E-04
DAV: 32 -0.380588275977E+03 -0.53926E-05 -0.23258E-07 219 0.102E-03
1 F= -.38058828E+03 E0= -.38060180E+03 d E =0.405843E-01