iterations/neb0_image02_iter36_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 0.144954445278E+04 0.14495E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.224714439897E+03 -0.12248E+04 -0.11472E+04 435 0.163E+02
DAV: 3 -0.363166520406E+03 -0.58788E+03 -0.58475E+03 345 0.114E+02
DAV: 4 -0.433568997015E+03 -0.70402E+02 -0.70172E+02 318 0.509E+01
DAV: 5 -0.435142357717E+03 -0.15734E+01 -0.15708E+01 318 0.780E+00 0.427E+01
DAV: 6 -0.388949999149E+03 0.46192E+02 -0.14875E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385466639873E+03 0.34834E+01 -0.13433E+01 336 0.780E+00 0.104E+01
DAV: 8 -0.383999276132E+03 0.14674E+01 -0.23166E+00 345 0.389E+00 0.435E+00
DAV: 9 -0.383454363086E+03 0.54491E+00 -0.12161E+00 336 0.224E+00 0.124E+00
DAV: 10 -0.383363600687E+03 0.90762E-01 -0.15027E-01 318 0.108E+00 0.873E-01
DAV: 11 -0.383352021200E+03 0.11579E-01 -0.83630E-02 336 0.814E-01 0.111E+00
DAV: 12 -0.383325840211E+03 0.26181E-01 -0.15314E-01 354 0.543E-01 0.644E-01
DAV: 13 -0.383318164997E+03 0.76752E-02 -0.14007E-02 345 0.344E-01 0.578E-01
DAV: 14 -0.383308386169E+03 0.97788E-02 -0.85213E-02 318 0.436E-01 0.613E-01
DAV: 15 -0.383300702022E+03 0.76841E-02 -0.12025E-02 327 0.317E-01 0.187E-01
DAV: 16 -0.383305989118E+03 -0.52871E-02 -0.58023E-03 309 0.256E-01 0.320E-01
DAV: 17 -0.383319051917E+03 -0.13063E-01 -0.95340E-03 300 0.279E-01 0.308E-01
DAV: 18 -0.383325912497E+03 -0.68606E-02 -0.43870E-03 309 0.171E-01 0.153E-01
DAV: 19 -0.383332850314E+03 -0.69378E-02 -0.12673E-03 309 0.901E-02 0.155E-01
DAV: 20 -0.383339317157E+03 -0.64668E-02 -0.46063E-04 309 0.612E-02 0.695E-02
DAV: 21 -0.383344384152E+03 -0.50670E-02 -0.39761E-04 336 0.495E-02 0.311E-02
DAV: 22 -0.383349011574E+03 -0.46274E-02 -0.19047E-04 300 0.313E-02 0.204E-02
DAV: 23 -0.383352321979E+03 -0.33104E-02 -0.13168E-04 300 0.207E-02 0.197E-02
DAV: 24 -0.383355178254E+03 -0.28563E-02 -0.17134E-04 282 0.223E-02 0.953E-03
DAV: 25 -0.383355952478E+03 -0.77422E-03 -0.33231E-05 291 0.107E-02 0.118E-02
DAV: 26 -0.383356442282E+03 -0.48980E-03 -0.18780E-05 237 0.978E-03 0.554E-03
DAV: 27 -0.383356591836E+03 -0.14955E-03 -0.42222E-06 228 0.539E-03 0.369E-03
DAV: 28 -0.383356687166E+03 -0.95330E-04 -0.61604E-06 219 0.642E-03 0.307E-03
DAV: 29 -0.383356750301E+03 -0.63135E-04 -0.17352E-06 210 0.410E-03 0.474E-03
DAV: 30 -0.383356793547E+03 -0.43247E-04 -0.19160E-06 201 0.295E-03 0.181E-03
DAV: 31 -0.383356810507E+03 -0.16959E-04 -0.65344E-07 228 0.194E-03 0.137E-03
DAV: 32 -0.383356821490E+03 -0.10983E-04 -0.40680E-07 192 0.136E-03 0.109E-03
DAV: 33 -0.383356828598E+03 -0.71075E-05 -0.22000E-07 219 0.101E-03
1 F= -.38335683E+03 E0= -.38337345E+03 d E =0.498774E-01