iterations/neb0_image07_iter63_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 0.145085946976E+04 0.14509E+04 -0.44245E+04 330 0.697E+02
DAV: 2 0.231579155107E+03 -0.12193E+04 -0.11432E+04 417 0.163E+02
DAV: 3 -0.363347916168E+03 -0.59493E+03 -0.59154E+03 363 0.115E+02
DAV: 4 -0.432107070955E+03 -0.68759E+02 -0.68489E+02 309 0.492E+01
DAV: 5 -0.433623958288E+03 -0.15169E+01 -0.15144E+01 327 0.756E+00 0.428E+01
DAV: 6 -0.387337099545E+03 0.46287E+02 -0.15064E+02 309 0.289E+01 0.210E+01
DAV: 7 -0.383891117692E+03 0.34460E+01 -0.12852E+01 345 0.780E+00 0.105E+01
DAV: 8 -0.382466572709E+03 0.14245E+01 -0.27559E+00 327 0.397E+00 0.438E+00
DAV: 9 -0.381887135955E+03 0.57944E+00 -0.72647E-01 327 0.211E+00 0.959E-01
DAV: 10 -0.381825236975E+03 0.61899E-01 -0.10597E-01 345 0.860E-01 0.685E-01
DAV: 11 -0.381790140421E+03 0.35097E-01 -0.22205E-02 345 0.454E-01 0.362E-01
DAV: 12 -0.381769540146E+03 0.20600E-01 -0.14115E-02 345 0.412E-01 0.207E-01
DAV: 13 -0.381768036390E+03 0.15038E-02 -0.17781E-02 309 0.465E-01 0.140E-01
DAV: 14 -0.381780561745E+03 -0.12525E-01 -0.78787E-03 318 0.283E-01 0.102E-01
DAV: 15 -0.381789881101E+03 -0.93194E-02 -0.25277E-03 309 0.152E-01 0.576E-02
DAV: 16 -0.381798681151E+03 -0.88001E-02 -0.11929E-03 336 0.106E-01 0.465E-02
DAV: 17 -0.381807969903E+03 -0.92888E-02 -0.10612E-03 336 0.927E-02 0.425E-02
DAV: 18 -0.381813416706E+03 -0.54468E-02 -0.24070E-04 318 0.380E-02 0.306E-02
DAV: 19 -0.381817204163E+03 -0.37875E-02 -0.28115E-04 318 0.392E-02 0.133E-02
DAV: 20 -0.381819958953E+03 -0.27548E-02 -0.16150E-04 327 0.263E-02 0.116E-02
DAV: 21 -0.381820871457E+03 -0.91250E-03 -0.24929E-05 264 0.112E-02 0.861E-03
DAV: 22 -0.381821617630E+03 -0.74617E-03 -0.45365E-05 282 0.157E-02 0.550E-03
DAV: 23 -0.381821869063E+03 -0.25143E-03 -0.49354E-06 228 0.739E-03 0.314E-03
DAV: 24 -0.381822037842E+03 -0.16878E-03 -0.93784E-06 210 0.747E-03 0.270E-03
DAV: 25 -0.381822124214E+03 -0.86372E-04 -0.27978E-06 210 0.574E-03 0.124E-03
DAV: 26 -0.381822174564E+03 -0.50350E-04 -0.34130E-06 219 0.440E-03 0.280E-03
DAV: 27 -0.381822193231E+03 -0.18667E-04 -0.92480E-07 210 0.293E-03 0.171E-03
DAV: 28 -0.381822207465E+03 -0.14234E-04 -0.29609E-06 219 0.514E-03 0.220E-03
DAV: 29 -0.381822212767E+03 -0.53025E-05 -0.60508E-07 219 0.264E-03
1 F= -.38182221E+03 E0= -.38182617E+03 d E =0.118688E-01