iterations/neb0_image08_iter62_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 0.144842297068E+04 0.14484E+04 -0.44204E+04 330 0.697E+02
DAV: 2 0.231357851468E+03 -0.12171E+04 -0.11406E+04 417 0.163E+02
DAV: 3 -0.361580557677E+03 -0.59294E+03 -0.58926E+03 363 0.114E+02
DAV: 4 -0.429829451460E+03 -0.68249E+02 -0.67956E+02 309 0.491E+01
DAV: 5 -0.431378249550E+03 -0.15488E+01 -0.15461E+01 345 0.760E+00 0.425E+01
DAV: 6 -0.385415999465E+03 0.45962E+02 -0.15082E+02 309 0.289E+01 0.208E+01
DAV: 7 -0.382009075616E+03 0.34069E+01 -0.12097E+01 336 0.776E+00 0.104E+01
DAV: 8 -0.380582229505E+03 0.14268E+01 -0.19497E+00 336 0.397E+00 0.435E+00
DAV: 9 -0.380036385472E+03 0.54584E+00 -0.11000E+00 327 0.217E+00 0.133E+00
DAV: 10 -0.379965757160E+03 0.70628E-01 -0.47792E-01 336 0.112E+00 0.103E+00
DAV: 11 -0.379930690238E+03 0.35067E-01 -0.91444E-02 345 0.638E-01 0.733E-01
DAV: 12 -0.379912185757E+03 0.18504E-01 -0.68077E-02 336 0.460E-01 0.599E-01
DAV: 13 -0.379899638703E+03 0.12547E-01 -0.50836E-02 345 0.497E-01 0.661E-01
DAV: 14 -0.379885171891E+03 0.14467E-01 -0.26073E-02 327 0.414E-01 0.223E-01
DAV: 15 -0.379889560313E+03 -0.43884E-02 -0.77088E-03 300 0.249E-01 0.198E-01
DAV: 16 -0.379896841177E+03 -0.72809E-02 -0.53324E-03 318 0.224E-01 0.160E-01
DAV: 17 -0.379908537456E+03 -0.11696E-01 -0.44258E-03 309 0.208E-01 0.183E-01
DAV: 18 -0.379915993164E+03 -0.74557E-02 -0.29227E-03 309 0.142E-01 0.876E-02
DAV: 19 -0.379922035437E+03 -0.60423E-02 -0.66275E-04 327 0.766E-02 0.457E-02
DAV: 20 -0.379927810675E+03 -0.57752E-02 -0.28179E-04 300 0.419E-02 0.310E-02
DAV: 21 -0.379934774457E+03 -0.69638E-02 -0.45296E-04 309 0.436E-02 0.284E-02
DAV: 22 -0.379936908392E+03 -0.21339E-02 -0.10833E-04 345 0.231E-02 0.164E-02
DAV: 23 -0.379939173625E+03 -0.22652E-02 -0.11745E-04 273 0.213E-02 0.928E-03
DAV: 24 -0.379940167120E+03 -0.99349E-03 -0.39116E-05 300 0.117E-02 0.578E-03
DAV: 25 -0.379940824699E+03 -0.65758E-03 -0.30668E-05 255 0.116E-02 0.474E-03
DAV: 26 -0.379941021824E+03 -0.19713E-03 -0.47929E-06 228 0.529E-03 0.303E-03
DAV: 27 -0.379941164070E+03 -0.14225E-03 -0.55361E-06 201 0.578E-03 0.166E-03
DAV: 28 -0.379941238017E+03 -0.73947E-04 -0.25761E-06 228 0.345E-03 0.199E-03
DAV: 29 -0.379941265651E+03 -0.27634E-04 -0.12201E-06 228 0.296E-03 0.185E-03
DAV: 30 -0.379941282436E+03 -0.16785E-04 -0.11796E-06 228 0.275E-03 0.955E-04
DAV: 31 -0.379941292162E+03 -0.97255E-05 -0.40994E-07 228 0.156E-03
1 F= -.37994129E+03 E0= -.37995797E+03 d E =0.500366E-01