iterations/neb0_image09_iter70_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 0.144879863735E+04 0.14488E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.232345436873E+03 -0.12165E+04 -0.11411E+04 417 0.163E+02
DAV: 3 -0.359266666583E+03 -0.59161E+03 -0.58748E+03 363 0.114E+02
DAV: 4 -0.428840039205E+03 -0.69573E+02 -0.69210E+02 309 0.491E+01
DAV: 5 -0.430423911702E+03 -0.15839E+01 -0.15800E+01 336 0.766E+00 0.429E+01
DAV: 6 -0.382674759430E+03 0.47749E+02 -0.15820E+02 300 0.297E+01 0.210E+01
DAV: 7 -0.379266670143E+03 0.34081E+01 -0.12559E+01 345 0.814E+00 0.106E+01
DAV: 8 -0.377750806074E+03 0.15159E+01 -0.20035E+00 327 0.385E+00 0.428E+00
DAV: 9 -0.377158809062E+03 0.59200E+00 -0.67157E-01 318 0.208E+00 0.943E-01
DAV: 10 -0.377101383603E+03 0.57425E-01 -0.91742E-02 336 0.814E-01 0.651E-01
DAV: 11 -0.377062120126E+03 0.39263E-01 -0.27823E-02 318 0.450E-01 0.354E-01
DAV: 12 -0.377042776444E+03 0.19344E-01 -0.13830E-02 327 0.421E-01 0.207E-01
DAV: 13 -0.377042040355E+03 0.73609E-03 -0.17601E-02 309 0.497E-01 0.143E-01
DAV: 14 -0.377055342969E+03 -0.13303E-01 -0.85538E-03 318 0.293E-01 0.110E-01
DAV: 15 -0.377064957784E+03 -0.96148E-02 -0.26681E-03 291 0.160E-01 0.563E-02
DAV: 16 -0.377072875715E+03 -0.79179E-02 -0.14818E-03 327 0.115E-01 0.463E-02
DAV: 17 -0.377080988851E+03 -0.81131E-02 -0.10239E-03 318 0.908E-02 0.452E-02
DAV: 18 -0.377087929666E+03 -0.69408E-02 -0.36989E-04 327 0.419E-02 0.315E-02
DAV: 19 -0.377092414213E+03 -0.44845E-02 -0.34547E-04 318 0.389E-02 0.153E-02
DAV: 20 -0.377094586035E+03 -0.21718E-02 -0.16562E-04 336 0.319E-02 0.173E-02
DAV: 21 -0.377095249670E+03 -0.66364E-03 -0.24967E-05 273 0.169E-02 0.922E-03
DAV: 22 -0.377096056626E+03 -0.80696E-03 -0.49326E-05 273 0.151E-02 0.507E-03
DAV: 23 -0.377096475876E+03 -0.41925E-03 -0.10999E-05 219 0.862E-03 0.282E-03
DAV: 24 -0.377096722117E+03 -0.24624E-03 -0.13394E-05 237 0.745E-03 0.294E-03
DAV: 25 -0.377096813642E+03 -0.91525E-04 -0.33207E-06 228 0.592E-03 0.129E-03
DAV: 26 -0.377096862417E+03 -0.48775E-04 -0.26329E-06 210 0.364E-03 0.199E-03
DAV: 27 -0.377096883078E+03 -0.20661E-04 -0.82011E-07 228 0.244E-03 0.108E-03
DAV: 28 -0.377096905257E+03 -0.22180E-04 -0.17589E-06 210 0.342E-03 0.134E-03
DAV: 29 -0.377096906719E+03 -0.14620E-05 -0.35890E-07 237 0.158E-03
1 F= -.37709691E+03 E0= -.37710157E+03 d E =0.140041E-01