iterations/neb0_image06_iter62_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 0.145104330278E+04 0.14510E+04 -0.44252E+04 330 0.697E+02
DAV: 2 0.231667231963E+03 -0.12194E+04 -0.11423E+04 417 0.163E+02
DAV: 3 -0.364317843592E+03 -0.59599E+03 -0.59244E+03 363 0.115E+02
DAV: 4 -0.433260832291E+03 -0.68943E+02 -0.68678E+02 309 0.493E+01
DAV: 5 -0.434786138533E+03 -0.15253E+01 -0.15227E+01 336 0.757E+00 0.429E+01
DAV: 6 -0.388416286759E+03 0.46370E+02 -0.15111E+02 309 0.288E+01 0.210E+01
DAV: 7 -0.384919987985E+03 0.34963E+01 -0.13098E+01 327 0.786E+00 0.104E+01
DAV: 8 -0.383474078982E+03 0.14459E+01 -0.20947E+00 327 0.385E+00 0.448E+00
DAV: 9 -0.382934602016E+03 0.53948E+00 -0.19568E+00 354 0.248E+00 0.146E+00
DAV: 10 -0.382865214351E+03 0.69388E-01 -0.36645E-01 327 0.118E+00 0.100E+00
DAV: 11 -0.382829714140E+03 0.35500E-01 -0.15574E-01 327 0.679E-01 0.874E-01
DAV: 12 -0.382813038369E+03 0.16676E-01 -0.14499E-01 345 0.522E-01 0.575E-01
DAV: 13 -0.382793364488E+03 0.19674E-01 -0.14410E-02 336 0.380E-01 0.433E-01
DAV: 14 -0.382785854858E+03 0.75096E-02 -0.30632E-02 345 0.538E-01 0.412E-01
DAV: 15 -0.382784745091E+03 0.11098E-02 -0.11031E-02 318 0.312E-01 0.313E-01
DAV: 16 -0.382787360909E+03 -0.26158E-02 -0.39616E-03 309 0.176E-01 0.137E-01
DAV: 17 -0.382797966055E+03 -0.10605E-01 -0.34483E-03 300 0.182E-01 0.903E-02
DAV: 18 -0.382808665115E+03 -0.10699E-01 -0.38817E-03 327 0.186E-01 0.169E-01
DAV: 19 -0.382814871963E+03 -0.62068E-02 -0.22550E-03 309 0.131E-01 0.758E-02
DAV: 20 -0.382819269015E+03 -0.43971E-02 -0.52561E-04 327 0.553E-02 0.425E-02
DAV: 21 -0.382826204313E+03 -0.69353E-02 -0.39208E-04 291 0.461E-02 0.263E-02
DAV: 22 -0.382829318420E+03 -0.31141E-02 -0.12253E-04 336 0.280E-02 0.172E-02
DAV: 23 -0.382831522778E+03 -0.22044E-02 -0.93984E-05 300 0.228E-02 0.158E-02
DAV: 24 -0.382833446852E+03 -0.19241E-02 -0.84447E-05 309 0.185E-02 0.173E-02
DAV: 25 -0.382834389702E+03 -0.94285E-03 -0.39465E-05 282 0.142E-02 0.596E-03
DAV: 26 -0.382834917278E+03 -0.52758E-03 -0.26911E-05 282 0.108E-02 0.497E-03
DAV: 27 -0.382835105274E+03 -0.18800E-03 -0.31706E-06 237 0.475E-03 0.389E-03
DAV: 28 -0.382835269028E+03 -0.16375E-03 -0.69392E-06 192 0.640E-03 0.300E-03
DAV: 29 -0.382835316023E+03 -0.46995E-04 -0.17613E-06 228 0.341E-03 0.188E-03
DAV: 30 -0.382835360377E+03 -0.44354E-04 -0.21743E-06 192 0.364E-03 0.172E-03
DAV: 31 -0.382835378380E+03 -0.18004E-04 -0.81710E-07 228 0.224E-03 0.810E-04
DAV: 32 -0.382835388839E+03 -0.10459E-04 -0.61183E-07 201 0.187E-03 0.922E-04
DAV: 33 -0.382835397182E+03 -0.83433E-05 -0.27999E-07 228 0.140E-03
1 F= -.38283540E+03 E0= -.38285119E+03 d E =0.473778E-01