iterations/neb0_image01_iter46_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 0.144652867720E+04 0.14465E+04 -0.44184E+04 330 0.697E+02
DAV: 2 0.227604730270E+03 -0.12189E+04 -0.11419E+04 426 0.163E+02
DAV: 3 -0.362718688518E+03 -0.59032E+03 -0.58690E+03 345 0.114E+02
DAV: 4 -0.433404661028E+03 -0.70686E+02 -0.70416E+02 318 0.512E+01
DAV: 5 -0.434993778382E+03 -0.15891E+01 -0.15868E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389052835823E+03 0.45941E+02 -0.14794E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385578566398E+03 0.34743E+01 -0.13177E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384110188433E+03 0.14684E+01 -0.21649E+00 327 0.382E+00 0.429E+00
DAV: 9 -0.383557791927E+03 0.55240E+00 -0.13495E+00 345 0.231E+00 0.125E+00
DAV: 10 -0.383493473334E+03 0.64319E-01 -0.28989E-01 318 0.110E+00 0.105E+00
DAV: 11 -0.383472449452E+03 0.21024E-01 -0.25001E-01 354 0.620E-01 0.975E-01
DAV: 12 -0.383459901515E+03 0.12548E-01 -0.31777E-01 327 0.708E-01 0.909E-01
DAV: 13 -0.383436904613E+03 0.22997E-01 -0.13101E-01 345 0.537E-01 0.633E-01
DAV: 14 -0.383424787113E+03 0.12117E-01 -0.37276E-02 327 0.388E-01 0.449E-01
DAV: 15 -0.383421986198E+03 0.28009E-02 -0.22368E-02 309 0.427E-01 0.304E-01
DAV: 16 -0.383425701766E+03 -0.37156E-02 -0.64052E-03 318 0.249E-01 0.208E-01
DAV: 17 -0.383432251306E+03 -0.65495E-02 -0.30780E-03 282 0.161E-01 0.145E-01
DAV: 18 -0.383441478597E+03 -0.92273E-02 -0.27794E-03 345 0.169E-01 0.112E-01
DAV: 19 -0.383447435230E+03 -0.59566E-02 -0.22891E-03 354 0.150E-01 0.105E-01
DAV: 20 -0.383452305549E+03 -0.48703E-02 -0.26434E-03 372 0.125E-01 0.136E-01
DAV: 21 -0.383455370436E+03 -0.30649E-02 -0.94234E-04 300 0.868E-02 0.884E-02
DAV: 22 -0.383457715752E+03 -0.23453E-02 -0.49544E-04 318 0.508E-02 0.814E-02
DAV: 23 -0.383464064454E+03 -0.63487E-02 -0.82756E-04 291 0.752E-02 0.974E-02
DAV: 24 -0.383466094113E+03 -0.20297E-02 -0.23783E-04 318 0.477E-02 0.384E-02
DAV: 25 -0.383468959888E+03 -0.28658E-02 -0.27149E-04 300 0.341E-02 0.400E-02
DAV: 26 -0.383470455070E+03 -0.14952E-02 -0.10639E-04 345 0.303E-02 0.246E-02
DAV: 27 -0.383471741321E+03 -0.12863E-02 -0.68420E-05 309 0.192E-02 0.300E-02
DAV: 28 -0.383472550351E+03 -0.80903E-03 -0.32216E-05 273 0.131E-02 0.143E-02
DAV: 29 -0.383472851890E+03 -0.30154E-03 -0.17082E-05 246 0.110E-02 0.559E-03
DAV: 30 -0.383473089047E+03 -0.23716E-03 -0.82577E-06 219 0.636E-03 0.542E-03
DAV: 31 -0.383473270121E+03 -0.18107E-03 -0.65040E-06 237 0.523E-03 0.297E-03
DAV: 32 -0.383473372055E+03 -0.10193E-03 -0.46778E-06 219 0.407E-03 0.345E-03
DAV: 33 -0.383473397699E+03 -0.25644E-04 -0.13766E-06 237 0.266E-03 0.250E-03
DAV: 34 -0.383473413304E+03 -0.15605E-04 -0.73025E-07 210 0.208E-03 0.305E-03
DAV: 35 -0.383473429564E+03 -0.16260E-04 -0.53387E-07 219 0.184E-03 0.148E-03
DAV: 36 -0.383473438685E+03 -0.91211E-05 -0.55134E-07 219 0.172E-03
1 F= -.38347344E+03 E0= -.38349019E+03 d E =0.502491E-01