iterations/neb0_image01_iter53_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 0.144732347970E+04 0.14473E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.227818655685E+03 -0.12195E+04 -0.11424E+04 426 0.163E+02
DAV: 3 -0.362871827882E+03 -0.59069E+03 -0.58730E+03 345 0.114E+02
DAV: 4 -0.433509256873E+03 -0.70637E+02 -0.70369E+02 318 0.512E+01
DAV: 5 -0.435094031783E+03 -0.15848E+01 -0.15824E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389098254329E+03 0.45996E+02 -0.14804E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385623174975E+03 0.34751E+01 -0.13372E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384152937378E+03 0.14702E+01 -0.21632E+00 327 0.382E+00 0.431E+00
DAV: 9 -0.383606734565E+03 0.54620E+00 -0.15923E+00 336 0.238E+00 0.129E+00
DAV: 10 -0.383532393942E+03 0.74341E-01 -0.19786E-01 318 0.109E+00 0.956E-01
DAV: 11 -0.383511450425E+03 0.20944E-01 -0.19203E-01 345 0.629E-01 0.981E-01
DAV: 12 -0.383501503750E+03 0.99467E-02 -0.37970E-01 345 0.706E-01 0.962E-01
DAV: 13 -0.383479147830E+03 0.22356E-01 -0.15680E-01 381 0.544E-01 0.720E-01
DAV: 14 -0.383468316568E+03 0.10831E-01 -0.81335E-02 345 0.390E-01 0.621E-01
DAV: 15 -0.383461712529E+03 0.66040E-02 -0.31749E-02 309 0.448E-01 0.388E-01
DAV: 16 -0.383464253732E+03 -0.25412E-02 -0.16775E-02 327 0.275E-01 0.177E-01
DAV: 17 -0.383469773050E+03 -0.55193E-02 -0.36640E-03 309 0.187E-01 0.155E-01
DAV: 18 -0.383478640384E+03 -0.88673E-02 -0.71168E-03 354 0.202E-01 0.214E-01
DAV: 19 -0.383480741779E+03 -0.21014E-02 -0.16565E-03 318 0.989E-02 0.118E-01
DAV: 20 -0.383489483716E+03 -0.87419E-02 -0.12317E-03 282 0.110E-01 0.171E-01
DAV: 21 -0.383494566612E+03 -0.50829E-02 -0.98323E-04 327 0.887E-02 0.650E-02
DAV: 22 -0.383501814936E+03 -0.72483E-02 -0.11034E-03 345 0.881E-02 0.946E-02
DAV: 23 -0.383505693833E+03 -0.38789E-02 -0.35954E-04 345 0.537E-02 0.444E-02
DAV: 24 -0.383509130520E+03 -0.34367E-02 -0.25042E-04 309 0.377E-02 0.392E-02
DAV: 25 -0.383509940017E+03 -0.80950E-03 -0.50624E-05 318 0.175E-02 0.267E-02
DAV: 26 -0.383511256229E+03 -0.13162E-02 -0.44517E-05 300 0.149E-02 0.143E-02
DAV: 27 -0.383512842895E+03 -0.15867E-02 -0.12204E-04 309 0.206E-02 0.145E-02
DAV: 28 -0.383513148008E+03 -0.30511E-03 -0.16741E-05 273 0.928E-03 0.116E-02
DAV: 29 -0.383513369748E+03 -0.22174E-03 -0.87122E-06 210 0.554E-03 0.572E-03
DAV: 30 -0.383513503362E+03 -0.13361E-03 -0.53879E-06 228 0.552E-03 0.373E-03
DAV: 31 -0.383513595750E+03 -0.92387E-04 -0.38949E-06 219 0.466E-03 0.371E-03
DAV: 32 -0.383513635571E+03 -0.39821E-04 -0.15567E-06 219 0.250E-03 0.282E-03
DAV: 33 -0.383513673975E+03 -0.38404E-04 -0.18413E-06 201 0.320E-03 0.246E-03
DAV: 34 -0.383513686521E+03 -0.12546E-04 -0.93764E-07 228 0.193E-03 0.229E-03
DAV: 35 -0.383513690411E+03 -0.38902E-05 -0.29213E-07 228 0.136E-03
1 F= -.38351369E+03 E0= -.38353031E+03 d E =0.498619E-01