iterations/neb0_image04_iter48_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 0.144817562530E+04 0.14482E+04 -0.44205E+04 330 0.697E+02
DAV: 2 0.223646341601E+03 -0.12245E+04 -0.11481E+04 435 0.163E+02
DAV: 3 -0.362934989696E+03 -0.58658E+03 -0.58352E+03 345 0.114E+02
DAV: 4 -0.433282106080E+03 -0.70347E+02 -0.70106E+02 309 0.508E+01
DAV: 5 -0.434880454161E+03 -0.15983E+01 -0.15958E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.388996019219E+03 0.45884E+02 -0.14786E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385532316399E+03 0.34637E+01 -0.13256E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384049027375E+03 0.14833E+01 -0.18073E+00 336 0.377E+00 0.424E+00
DAV: 9 -0.383507223535E+03 0.54180E+00 -0.93412E-01 336 0.204E+00 0.100E+00
DAV: 10 -0.383448447260E+03 0.58776E-01 -0.11485E-01 327 0.875E-01 0.869E-01
DAV: 11 -0.383424711339E+03 0.23736E-01 -0.14370E-01 345 0.617E-01 0.773E-01
DAV: 12 -0.383399573074E+03 0.25138E-01 -0.33866E-02 327 0.430E-01 0.664E-01
DAV: 13 -0.383391924664E+03 0.76484E-02 -0.12512E-01 363 0.440E-01 0.480E-01
DAV: 14 -0.383379705157E+03 0.12220E-01 -0.14864E-02 318 0.421E-01 0.326E-01
DAV: 15 -0.383383499125E+03 -0.37940E-02 -0.15519E-02 318 0.281E-01 0.147E-01
DAV: 16 -0.383392608066E+03 -0.91089E-02 -0.51234E-03 282 0.247E-01 0.126E-01
DAV: 17 -0.383402290587E+03 -0.96825E-02 -0.52924E-03 372 0.228E-01 0.999E-02
DAV: 18 -0.383409390404E+03 -0.70998E-02 -0.37259E-03 345 0.134E-01 0.142E-01
DAV: 19 -0.383409247425E+03 0.14298E-03 -0.10045E-03 345 0.703E-02 0.786E-02
DAV: 20 -0.383415701859E+03 -0.64544E-02 -0.10749E-03 309 0.644E-02 0.116E-01
DAV: 21 -0.383421474300E+03 -0.57724E-02 -0.17497E-03 327 0.684E-02 0.502E-02
DAV: 22 -0.383424619555E+03 -0.31453E-02 -0.32987E-04 318 0.365E-02 0.242E-02
DAV: 23 -0.383429308644E+03 -0.46891E-02 -0.25850E-04 282 0.343E-02 0.313E-02
DAV: 24 -0.383431338474E+03 -0.20298E-02 -0.11284E-04 309 0.237E-02 0.110E-02
DAV: 25 -0.383432165998E+03 -0.82752E-03 -0.37935E-05 318 0.121E-02 0.116E-02
DAV: 26 -0.383433023068E+03 -0.85707E-03 -0.43366E-05 282 0.111E-02 0.104E-02
DAV: 27 -0.383433438144E+03 -0.41508E-03 -0.17971E-05 246 0.746E-03 0.427E-03
DAV: 28 -0.383433633462E+03 -0.19532E-03 -0.77479E-06 219 0.482E-03 0.332E-03
DAV: 29 -0.383433757481E+03 -0.12402E-03 -0.42731E-06 219 0.373E-03 0.169E-03
DAV: 30 -0.383433804102E+03 -0.46621E-04 -0.20949E-06 228 0.289E-03 0.910E-04
DAV: 31 -0.383433829685E+03 -0.25584E-04 -0.11831E-06 219 0.185E-03 0.769E-04
DAV: 32 -0.383433842536E+03 -0.12851E-04 -0.63254E-07 228 0.153E-03 0.685E-04
DAV: 33 -0.383433851828E+03 -0.92919E-05 -0.47280E-07 210 0.118E-03
1 F= -.38343385E+03 E0= -.38345074E+03 d E =0.506552E-01