iterations/neb0_image02_iter72_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 0.145065097526E+04 0.14507E+04 -0.44197E+04 330 0.697E+02
DAV: 2 0.225501572021E+03 -0.12251E+04 -0.11487E+04 435 0.163E+02
DAV: 3 -0.362659320955E+03 -0.58816E+03 -0.58491E+03 354 0.114E+02
DAV: 4 -0.433211153780E+03 -0.70552E+02 -0.70324E+02 309 0.503E+01
DAV: 5 -0.434777035318E+03 -0.15659E+01 -0.15631E+01 327 0.769E+00 0.427E+01
DAV: 6 -0.388389416554E+03 0.46388E+02 -0.14905E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.384933353357E+03 0.34561E+01 -0.13297E+01 336 0.785E+00 0.105E+01
DAV: 8 -0.383482488178E+03 0.14509E+01 -0.18694E+00 336 0.379E+00 0.435E+00
DAV: 9 -0.382933701517E+03 0.54879E+00 -0.14731E+00 336 0.234E+00 0.121E+00
DAV: 10 -0.382863295864E+03 0.70406E-01 -0.12336E-01 327 0.101E+00 0.101E+00
DAV: 11 -0.382833470947E+03 0.29825E-01 -0.12506E-01 336 0.946E-01 0.810E-01
DAV: 12 -0.382809492242E+03 0.23979E-01 -0.28413E-02 318 0.507E-01 0.543E-01
DAV: 13 -0.382803343650E+03 0.61486E-02 -0.27551E-02 336 0.418E-01 0.648E-01
DAV: 14 -0.382790952249E+03 0.12391E-01 -0.75804E-03 327 0.325E-01 0.382E-01
DAV: 15 -0.382791313657E+03 -0.36141E-03 -0.20011E-02 309 0.417E-01 0.312E-01
DAV: 16 -0.382794336332E+03 -0.30227E-02 -0.54942E-03 354 0.277E-01 0.224E-01
DAV: 17 -0.382797691134E+03 -0.33548E-02 -0.17099E-03 327 0.125E-01 0.216E-01
DAV: 18 -0.382806260545E+03 -0.85694E-02 -0.19887E-03 300 0.127E-01 0.215E-01
DAV: 19 -0.382817987665E+03 -0.11727E-01 -0.29919E-03 309 0.166E-01 0.118E-01
DAV: 20 -0.382822028050E+03 -0.40404E-02 -0.12920E-03 318 0.107E-01 0.593E-02
DAV: 21 -0.382828183625E+03 -0.61556E-02 -0.62354E-04 345 0.755E-02 0.459E-02
DAV: 22 -0.382831866897E+03 -0.36833E-02 -0.14401E-04 327 0.328E-02 0.317E-02
DAV: 23 -0.382837103975E+03 -0.52371E-02 -0.28415E-04 300 0.328E-02 0.155E-02
DAV: 24 -0.382839917295E+03 -0.28133E-02 -0.11207E-04 318 0.213E-02 0.170E-02
DAV: 25 -0.382841772124E+03 -0.18548E-02 -0.94697E-05 300 0.195E-02 0.864E-03
DAV: 26 -0.382842630272E+03 -0.85815E-03 -0.35152E-05 282 0.133E-02 0.411E-03
DAV: 27 -0.382842993763E+03 -0.36349E-03 -0.16492E-05 237 0.930E-03 0.514E-03
DAV: 28 -0.382843173645E+03 -0.17988E-03 -0.48241E-06 219 0.544E-03 0.275E-03
DAV: 29 -0.382843303864E+03 -0.13022E-03 -0.78027E-06 219 0.688E-03 0.335E-03
DAV: 30 -0.382843345790E+03 -0.41926E-04 -0.17168E-06 219 0.343E-03 0.253E-03
DAV: 31 -0.382843381083E+03 -0.35293E-04 -0.23266E-06 192 0.407E-03 0.105E-03
DAV: 32 -0.382843399276E+03 -0.18192E-04 -0.79748E-07 228 0.212E-03 0.946E-04
DAV: 33 -0.382843409546E+03 -0.10270E-04 -0.41902E-07 201 0.134E-03 0.661E-04
DAV: 34 -0.382843416447E+03 -0.69011E-05 -0.29379E-07 219 0.125E-03
1 F= -.38284342E+03 E0= -.38286005E+03 d E =0.499025E-01