iterations/neb0_image04_iter63_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 0.144867127151E+04 0.14487E+04 -0.44212E+04 330 0.697E+02
DAV: 2 0.230911796682E+03 -0.12178E+04 -0.11406E+04 417 0.163E+02
DAV: 3 -0.364510269180E+03 -0.59542E+03 -0.59215E+03 354 0.115E+02
DAV: 4 -0.433479371729E+03 -0.68969E+02 -0.68718E+02 309 0.497E+01
DAV: 5 -0.435023430003E+03 -0.15441E+01 -0.15415E+01 327 0.767E+00 0.427E+01
DAV: 6 -0.389026725983E+03 0.45997E+02 -0.14902E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385544819805E+03 0.34819E+01 -0.13018E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384076050505E+03 0.14688E+01 -0.19634E+00 327 0.378E+00 0.429E+00
DAV: 9 -0.383516914813E+03 0.55914E+00 -0.10402E+00 336 0.210E+00 0.103E+00
DAV: 10 -0.383452746182E+03 0.64169E-01 -0.12100E-01 327 0.881E-01 0.905E-01
DAV: 11 -0.383437993555E+03 0.14753E-01 -0.10242E-01 354 0.624E-01 0.891E-01
DAV: 12 -0.383413126657E+03 0.24867E-01 -0.15238E-01 318 0.445E-01 0.672E-01
DAV: 13 -0.383408277437E+03 0.48492E-02 -0.25406E-01 354 0.488E-01 0.842E-01
DAV: 14 -0.383389379896E+03 0.18898E-01 -0.29216E-02 318 0.502E-01 0.473E-01
DAV: 15 -0.383390637427E+03 -0.12575E-02 -0.13682E-02 318 0.330E-01 0.249E-01
DAV: 16 -0.383395034123E+03 -0.43967E-02 -0.42188E-03 300 0.183E-01 0.150E-01
DAV: 17 -0.383404730248E+03 -0.96961E-02 -0.49394E-03 345 0.224E-01 0.196E-01
DAV: 18 -0.383411464917E+03 -0.67347E-02 -0.37304E-03 345 0.185E-01 0.942E-02
DAV: 19 -0.383418658761E+03 -0.71938E-02 -0.19878E-03 300 0.135E-01 0.177E-01
DAV: 20 -0.383419674130E+03 -0.10154E-02 -0.69784E-04 327 0.727E-02 0.129E-01
DAV: 21 -0.383424050118E+03 -0.43760E-02 -0.57882E-04 300 0.623E-02 0.104E-01
DAV: 22 -0.383430051663E+03 -0.60015E-02 -0.63879E-04 318 0.703E-02 0.636E-02
DAV: 23 -0.383432710954E+03 -0.26593E-02 -0.25618E-04 318 0.358E-02 0.412E-02
DAV: 24 -0.383436891013E+03 -0.41801E-02 -0.25484E-04 282 0.327E-02 0.310E-02
DAV: 25 -0.383438862759E+03 -0.19717E-02 -0.10511E-04 327 0.233E-02 0.268E-02
DAV: 26 -0.383440431825E+03 -0.15691E-02 -0.74829E-05 300 0.177E-02 0.302E-02
DAV: 27 -0.383440925116E+03 -0.49329E-03 -0.19336E-05 273 0.127E-02 0.144E-02
DAV: 28 -0.383441221044E+03 -0.29593E-03 -0.19752E-05 291 0.978E-03 0.666E-03
DAV: 29 -0.383441555307E+03 -0.33426E-03 -0.18004E-05 228 0.808E-03 0.116E-02
DAV: 30 -0.383441650041E+03 -0.94734E-04 -0.41002E-06 228 0.496E-03 0.837E-03
DAV: 31 -0.383441709067E+03 -0.59026E-04 -0.33304E-06 228 0.360E-03 0.273E-03
DAV: 32 -0.383441765210E+03 -0.56144E-04 -0.26772E-06 210 0.367E-03 0.453E-03
DAV: 33 -0.383441808578E+03 -0.43368E-04 -0.14344E-06 219 0.282E-03 0.211E-03
DAV: 34 -0.383441824904E+03 -0.16326E-04 -0.79013E-07 228 0.166E-03 0.147E-03
DAV: 35 -0.383441833934E+03 -0.90298E-05 -0.43383E-07 228 0.154E-03
1 F= -.38344183E+03 E0= -.38345885E+03 d E =0.510417E-01