iterations/neb0_image05_iter58_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 0.144813794973E+04 0.14481E+04 -0.44227E+04 330 0.697E+02
DAV: 2 0.230812303232E+03 -0.12173E+04 -0.11403E+04 417 0.163E+02
DAV: 3 -0.364257613266E+03 -0.59507E+03 -0.59188E+03 354 0.114E+02
DAV: 4 -0.433254673755E+03 -0.68997E+02 -0.68743E+02 309 0.497E+01
DAV: 5 -0.434817124378E+03 -0.15625E+01 -0.15596E+01 336 0.772E+00 0.427E+01
DAV: 6 -0.388846744882E+03 0.45970E+02 -0.14941E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385368020461E+03 0.34787E+01 -0.13103E+01 345 0.775E+00 0.104E+01
DAV: 8 -0.383891863660E+03 0.14762E+01 -0.18449E+00 327 0.378E+00 0.429E+00
DAV: 9 -0.383348938828E+03 0.54292E+00 -0.12283E+00 336 0.206E+00 0.991E-01
DAV: 10 -0.383288439865E+03 0.60499E-01 -0.10126E-01 327 0.888E-01 0.829E-01
DAV: 11 -0.383252940085E+03 0.35500E-01 -0.13808E-01 345 0.744E-01 0.833E-01
DAV: 12 -0.383232710542E+03 0.20230E-01 -0.17352E-01 327 0.503E-01 0.532E-01
DAV: 13 -0.383217714153E+03 0.14996E-01 -0.83470E-02 336 0.471E-01 0.468E-01
DAV: 14 -0.383213351679E+03 0.43625E-02 -0.10503E-02 309 0.313E-01 0.401E-01
DAV: 15 -0.383216921727E+03 -0.35700E-02 -0.17077E-02 318 0.297E-01 0.159E-01
DAV: 16 -0.383227481190E+03 -0.10559E-01 -0.47493E-03 336 0.264E-01 0.243E-01
DAV: 17 -0.383229809930E+03 -0.23287E-02 -0.21523E-03 318 0.120E-01 0.168E-01
DAV: 18 -0.383237633134E+03 -0.78232E-02 -0.15539E-03 282 0.997E-02 0.165E-01
DAV: 19 -0.383243789281E+03 -0.61561E-02 -0.17753E-03 318 0.106E-01 0.891E-02
DAV: 20 -0.383248128282E+03 -0.43390E-02 -0.46112E-04 327 0.669E-02 0.422E-02
DAV: 21 -0.383254348064E+03 -0.62198E-02 -0.41050E-04 300 0.534E-02 0.564E-02
DAV: 22 -0.383259704178E+03 -0.53561E-02 -0.37263E-04 300 0.444E-02 0.197E-02
DAV: 23 -0.383261287816E+03 -0.15836E-02 -0.89059E-05 336 0.229E-02 0.205E-02
DAV: 24 -0.383262998296E+03 -0.17105E-02 -0.69527E-05 282 0.183E-02 0.107E-02
DAV: 25 -0.383264407386E+03 -0.14091E-02 -0.61091E-05 291 0.153E-02 0.813E-03
DAV: 26 -0.383264828139E+03 -0.42075E-03 -0.11371E-05 237 0.729E-03 0.553E-03
DAV: 27 -0.383265192589E+03 -0.36445E-03 -0.15898E-05 237 0.768E-03 0.390E-03
DAV: 28 -0.383265383556E+03 -0.19097E-03 -0.44670E-06 228 0.479E-03 0.234E-03
DAV: 29 -0.383265498429E+03 -0.11487E-03 -0.43623E-06 201 0.432E-03 0.177E-03
DAV: 30 -0.383265534020E+03 -0.35591E-04 -0.10743E-06 237 0.242E-03 0.923E-04
DAV: 31 -0.383265579600E+03 -0.45579E-04 -0.18984E-06 192 0.280E-03 0.135E-03
DAV: 32 -0.383265590255E+03 -0.10656E-04 -0.60615E-07 228 0.165E-03 0.977E-04
DAV: 33 -0.383265594336E+03 -0.40811E-05 -0.35265E-07 228 0.140E-03
1 F= -.38326559E+03 E0= -.38328258E+03 d E =0.509695E-01