iterations/neb0_image01_iter1_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161668352677E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296210728745E+03 -0.13205E+04 -0.12433E+04 420 0.168E+02
DAV: 3 -0.358035077620E+03 -0.65425E+03 -0.65069E+03 364 0.123E+02
DAV: 4 -0.433510580076E+03 -0.75476E+02 -0.75172E+02 308 0.519E+01
DAV: 5 -0.435222207182E+03 -0.17116E+01 -0.17088E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389146531861E+03 0.46076E+02 -0.15045E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385620005613E+03 0.35265E+01 -0.12409E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384171449099E+03 0.14486E+01 -0.23353E+00 332 0.378E+00 0.427E+00
DAV: 9 -0.383585840897E+03 0.58561E+00 -0.73302E-01 324 0.203E+00 0.108E+00
DAV: 10 -0.383532326989E+03 0.53514E-01 -0.14221E-01 340 0.862E-01 0.799E-01
DAV: 11 -0.383510281338E+03 0.22046E-01 -0.64415E-02 332 0.472E-01 0.664E-01
DAV: 12 -0.383488864997E+03 0.21416E-01 -0.11566E-01 308 0.511E-01 0.628E-01
DAV: 13 -0.383484769285E+03 0.40957E-02 -0.13091E-01 316 0.408E-01 0.462E-01
DAV: 14 -0.383481509512E+03 0.32598E-02 -0.24343E-02 308 0.276E-01 0.280E-01
DAV: 15 -0.383487893603E+03 -0.63841E-02 -0.74792E-03 324 0.240E-01 0.130E-01
DAV: 16 -0.383501498884E+03 -0.13605E-01 -0.35038E-03 284 0.171E-01 0.126E-01
DAV: 17 -0.383514498411E+03 -0.13000E-01 -0.28435E-03 300 0.141E-01 0.599E-02
DAV: 18 -0.383523091915E+03 -0.85935E-02 -0.93367E-04 324 0.747E-02 0.449E-02
DAV: 19 -0.383529315978E+03 -0.62241E-02 -0.30196E-04 308 0.397E-02 0.465E-02
DAV: 20 -0.383538197767E+03 -0.88818E-02 -0.79614E-04 308 0.521E-02 0.401E-02
DAV: 21 -0.383539931641E+03 -0.17339E-02 -0.14679E-04 316 0.255E-02 0.129E-02
DAV: 22 -0.383542257541E+03 -0.23259E-02 -0.12481E-04 292 0.207E-02 0.931E-03
DAV: 23 -0.383543418276E+03 -0.11607E-02 -0.50664E-05 284 0.128E-02 0.627E-03
DAV: 24 -0.383544099835E+03 -0.68156E-03 -0.30505E-05 252 0.109E-02 0.299E-03
DAV: 25 -0.383544307317E+03 -0.20748E-03 -0.64256E-06 236 0.521E-03 0.217E-03
DAV: 26 -0.383544445290E+03 -0.13797E-03 -0.56058E-06 204 0.494E-03 0.234E-03
DAV: 27 -0.383544487177E+03 -0.41887E-04 -0.15632E-06 228 0.343E-03 0.112E-03
DAV: 28 -0.383544534862E+03 -0.47685E-04 -0.32511E-06 188 0.451E-03 0.226E-03
DAV: 29 -0.383544546443E+03 -0.11581E-04 -0.78482E-07 220 0.284E-03 0.974E-04
DAV: 30 -0.383544552207E+03 -0.57638E-05 -0.82199E-07 228 0.220E-03
1 F= -.38354455E+03 E0= -.38355738E+03 d E =0.384947E-01