iterations/neb0_image08_iter59_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 0.143784770349E+04 0.14378E+04 -0.44131E+04 330 0.697E+02
DAV: 2 0.229919319978E+03 -0.12079E+04 -0.11329E+04 417 0.163E+02
DAV: 3 -0.355838786346E+03 -0.58576E+03 -0.58187E+03 354 0.114E+02
DAV: 4 -0.426701582975E+03 -0.70863E+02 -0.70540E+02 309 0.507E+01
DAV: 5 -0.428386188098E+03 -0.16846E+01 -0.16814E+01 354 0.792E+00 0.420E+01
DAV: 6 -0.383598818062E+03 0.44787E+02 -0.14822E+02 309 0.287E+01 0.206E+01
DAV: 7 -0.380379083167E+03 0.32197E+01 -0.11832E+01 336 0.779E+00 0.103E+01
DAV: 8 -0.378987463654E+03 0.13916E+01 -0.33113E+00 336 0.404E+00 0.432E+00
DAV: 9 -0.378443830495E+03 0.54363E+00 -0.78904E-01 327 0.207E+00 0.115E+00
DAV: 10 -0.378371387721E+03 0.72443E-01 -0.21732E-01 336 0.105E+00 0.865E-01
DAV: 11 -0.378342365177E+03 0.29023E-01 -0.70885E-02 318 0.480E-01 0.593E-01
DAV: 12 -0.378322921168E+03 0.19444E-01 -0.13451E-02 327 0.494E-01 0.890E-01
DAV: 13 -0.378311633542E+03 0.11288E-01 -0.16070E-01 354 0.423E-01 0.497E-01
DAV: 14 -0.378306673184E+03 0.49604E-02 -0.23790E-02 318 0.406E-01 0.523E-01
DAV: 15 -0.378307342194E+03 -0.66901E-03 -0.15904E-02 309 0.267E-01 0.168E-01
DAV: 16 -0.378318161038E+03 -0.10819E-01 -0.89641E-03 300 0.306E-01 0.157E-01
DAV: 17 -0.378323903360E+03 -0.57423E-02 -0.36795E-03 318 0.158E-01 0.919E-02
DAV: 18 -0.378330981463E+03 -0.70781E-02 -0.97961E-04 300 0.850E-02 0.741E-02
DAV: 19 -0.378339996891E+03 -0.90154E-02 -0.11863E-03 318 0.948E-02 0.666E-02
DAV: 20 -0.378346394940E+03 -0.63980E-02 -0.75865E-04 345 0.778E-02 0.313E-02
DAV: 21 -0.378349753544E+03 -0.33586E-02 -0.23921E-04 345 0.420E-02 0.270E-02
DAV: 22 -0.378351794100E+03 -0.20406E-02 -0.66349E-05 282 0.173E-02 0.179E-02
DAV: 23 -0.378354487964E+03 -0.26939E-02 -0.14875E-04 300 0.244E-02 0.116E-02
DAV: 24 -0.378355678782E+03 -0.11908E-02 -0.45241E-05 300 0.122E-02 0.830E-03
DAV: 25 -0.378356386676E+03 -0.70789E-03 -0.25682E-05 246 0.118E-02 0.518E-03
DAV: 26 -0.378356797218E+03 -0.41054E-03 -0.12678E-05 219 0.721E-03 0.515E-03
DAV: 27 -0.378356990195E+03 -0.19298E-03 -0.96877E-06 237 0.761E-03 0.288E-03
DAV: 28 -0.378357079261E+03 -0.89066E-04 -0.57860E-06 210 0.655E-03 0.287E-03
DAV: 29 -0.378357122652E+03 -0.43391E-04 -0.17248E-06 219 0.314E-03 0.233E-03
DAV: 30 -0.378357158713E+03 -0.36061E-04 -0.14906E-06 210 0.295E-03 0.781E-04
DAV: 31 -0.378357180711E+03 -0.21998E-04 -0.79759E-07 219 0.175E-03 0.535E-04
DAV: 32 -0.378357193827E+03 -0.13116E-04 -0.46905E-07 219 0.131E-03 0.582E-04
DAV: 33 -0.378357200664E+03 -0.68369E-05 -0.26282E-07 219 0.100E-03
1 F= -.37835720E+03 E0= -.37837398E+03 d E =0.503292E-01