iterations/neb0_image08_iter20_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 0.145268689479E+04 0.14527E+04 -0.44256E+04 330 0.697E+02
DAV: 2 0.229750589744E+03 -0.12229E+04 -0.11476E+04 426 0.163E+02
DAV: 3 -0.360540498419E+03 -0.59029E+03 -0.58671E+03 345 0.114E+02
DAV: 4 -0.432812664085E+03 -0.72272E+02 -0.71990E+02 318 0.513E+01
DAV: 5 -0.434456430163E+03 -0.16438E+01 -0.16410E+01 318 0.797E+00 0.427E+01
DAV: 6 -0.388607789679E+03 0.45849E+02 -0.14768E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385144493890E+03 0.34633E+01 -0.12983E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383685547336E+03 0.14589E+01 -0.18269E+00 345 0.380E+00 0.422E+00
DAV: 9 -0.383132663691E+03 0.55288E+00 -0.76763E-01 336 0.202E+00 0.992E-01
DAV: 10 -0.383073739767E+03 0.58924E-01 -0.15612E-01 327 0.941E-01 0.823E-01
DAV: 11 -0.383053453443E+03 0.20286E-01 -0.81404E-02 372 0.539E-01 0.657E-01
DAV: 12 -0.383030997497E+03 0.22456E-01 -0.47332E-02 336 0.406E-01 0.514E-01
DAV: 13 -0.383019772419E+03 0.11225E-01 -0.15099E-01 336 0.553E-01 0.780E-01
DAV: 14 -0.383008858782E+03 0.10914E-01 -0.54342E-02 309 0.408E-01 0.386E-01
DAV: 15 -0.383011658875E+03 -0.28001E-02 -0.83552E-03 327 0.281E-01 0.149E-01
DAV: 16 -0.383020354939E+03 -0.86961E-02 -0.62978E-03 309 0.232E-01 0.233E-01
DAV: 17 -0.383031560974E+03 -0.11206E-01 -0.47892E-03 318 0.227E-01 0.205E-01
DAV: 18 -0.383039633478E+03 -0.80725E-02 -0.29432E-03 327 0.161E-01 0.948E-02
DAV: 19 -0.383045382694E+03 -0.57492E-02 -0.94899E-04 336 0.793E-02 0.924E-02
DAV: 20 -0.383049712361E+03 -0.43297E-02 -0.35863E-04 327 0.448E-02 0.570E-02
DAV: 21 -0.383056215290E+03 -0.65029E-02 -0.45903E-04 300 0.455E-02 0.433E-02
DAV: 22 -0.383059836732E+03 -0.36214E-02 -0.17741E-04 336 0.309E-02 0.242E-02
DAV: 23 -0.383062294992E+03 -0.24583E-02 -0.14246E-04 300 0.264E-02 0.178E-02
DAV: 24 -0.383063427529E+03 -0.11325E-02 -0.49506E-05 300 0.133E-02 0.108E-02
DAV: 25 -0.383063908606E+03 -0.48108E-03 -0.96409E-06 228 0.729E-03 0.811E-03
DAV: 26 -0.383064494539E+03 -0.58593E-03 -0.33558E-05 237 0.107E-02 0.621E-03
DAV: 27 -0.383064614928E+03 -0.12039E-03 -0.53951E-06 228 0.592E-03 0.606E-03
DAV: 28 -0.383064748720E+03 -0.13379E-03 -0.45112E-06 201 0.507E-03 0.239E-03
DAV: 29 -0.383064771244E+03 -0.22524E-04 -0.14788E-06 237 0.298E-03 0.146E-03
DAV: 30 -0.383064797107E+03 -0.25863E-04 -0.95876E-07 201 0.261E-03 0.758E-04
DAV: 31 -0.383064836848E+03 -0.39742E-04 -0.16839E-06 201 0.274E-03 0.122E-03
DAV: 32 -0.383064841964E+03 -0.51151E-05 -0.41725E-07 228 0.152E-03
1 F= -.38306484E+03 E0= -.38307791E+03 d E =0.392085E-01