./iterations/neb0_image08_iter22_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145267007759E+04 0.14527E+04 -0.44255E+04 330 0.697E+02
DAV: 2 0.229922116339E+03 -0.12227E+04 -0.11474E+04 426 0.163E+02
DAV: 3 -0.360459670924E+03 -0.59038E+03 -0.58683E+03 345 0.114E+02
DAV: 4 -0.432774530072E+03 -0.72315E+02 -0.72029E+02 318 0.513E+01
DAV: 5 -0.434417153441E+03 -0.16426E+01 -0.16399E+01 318 0.797E+00 0.427E+01
DAV: 6 -0.388606863544E+03 0.45810E+02 -0.14735E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385150889958E+03 0.34560E+01 -0.13081E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.383688346368E+03 0.14625E+01 -0.18234E+00 345 0.381E+00 0.428E+00
DAV: 9 -0.383157909663E+03 0.53044E+00 -0.13645E+00 336 0.221E+00 0.107E+00
DAV: 10 -0.383092071042E+03 0.65839E-01 -0.11738E-01 327 0.950E-01 0.814E-01
DAV: 11 -0.383048872966E+03 0.43198E-01 -0.76214E-02 327 0.707E-01 0.505E-01
DAV: 12 -0.383039584645E+03 0.92883E-02 -0.66624E-02 381 0.572E-01 0.979E-01
DAV: 13 -0.383023682434E+03 0.15902E-01 -0.15512E-01 381 0.432E-01 0.339E-01
DAV: 14 -0.383020564951E+03 0.31175E-02 -0.17739E-02 318 0.333E-01 0.318E-01
DAV: 15 -0.383020700102E+03 -0.13515E-03 -0.70084E-03 318 0.280E-01 0.170E-01
DAV: 16 -0.383026499160E+03 -0.57991E-02 -0.34195E-03 309 0.192E-01 0.139E-01
DAV: 17 -0.383039569482E+03 -0.13070E-01 -0.30133E-03 300 0.212E-01 0.646E-02
DAV: 18 -0.383050474939E+03 -0.10905E-01 -0.32081E-03 309 0.175E-01 0.869E-02
DAV: 19 -0.383055698637E+03 -0.52237E-02 -0.11289E-03 354 0.975E-02 0.869E-02
DAV: 20 -0.383056703697E+03 -0.10051E-02 -0.18743E-04 327 0.355E-02 0.806E-02
DAV: 21 -0.383056941305E+03 -0.23761E-03 -0.18052E-05 300 0.109E-02 0.838E-02
DAV: 22 -0.383056508124E+03 0.43318E-03 -0.25253E-05 264 0.225E-02 0.804E-02
DAV: 23 -0.383056637272E+03 -0.12915E-03 -0.23901E-04 363 0.467E-02 0.629E-02
DAV: 24 -0.383059977910E+03 -0.33406E-02 -0.37644E-04 318 0.501E-02 0.563E-02
DAV: 25 -0.383064937071E+03 -0.49592E-02 -0.41675E-04 336 0.635E-02 0.381E-02
DAV: 26 -0.383068069575E+03 -0.31325E-02 -0.68650E-04 363 0.721E-02 0.246E-02
DAV: 27 -0.383068633443E+03 -0.56387E-03 -0.24766E-04 327 0.396E-02 0.330E-02
DAV: 28 -0.383068777967E+03 -0.14452E-03 -0.34845E-05 345 0.184E-02 0.305E-02
DAV: 29 -0.383069060223E+03 -0.28226E-03 -0.78959E-05 309 0.330E-02 0.338E-02
DAV: 30 -0.383069315985E+03 -0.25576E-03 -0.39049E-04 363 0.825E-02 0.395E-02
DAV: 31 -0.383069360027E+03 -0.44042E-04 -0.33958E-04 336 0.398E-02 0.354E-02
DAV: 32 -0.383069636991E+03 -0.27696E-03 -0.77742E-05 327 0.250E-02 0.352E-02
DAV: 33 -0.383069695600E+03 -0.58609E-04 -0.25001E-05 282 0.230E-02 0.389E-02
DAV: 34 -0.383069736705E+03 -0.41105E-04 -0.75602E-04 363 0.120E-01 0.893E-02
DAV: 35 -0.383069864842E+03 -0.12814E-03 -0.37655E-04 327 0.366E-02 0.664E-02
DAV: 36 -0.383069976933E+03 -0.11209E-03 -0.25098E-05 273 0.128E-02 0.642E-02
DAV: 37 -0.383070005471E+03 -0.28537E-04 -0.12963E-05 273 0.166E-02 0.789E-02
DAV: 38 -0.383070005156E+03 0.31466E-06 -0.97253E-05 309 0.184E-02
1 F= -.38307001E+03 E0= -.38308639E+03 d E =0.491623E-01