iterations/neb0_image03_iter12_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 0.144883964950E+04 0.14488E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224743309803E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362458095430E+03 -0.58720E+03 -0.58357E+03 345 0.114E+02
DAV: 4 -0.433384493909E+03 -0.70926E+02 -0.70695E+02 309 0.508E+01
DAV: 5 -0.434975083605E+03 -0.15906E+01 -0.15879E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389048200989E+03 0.45927E+02 -0.14792E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385602261278E+03 0.34459E+01 -0.13624E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384127369812E+03 0.14749E+01 -0.19953E+00 336 0.383E+00 0.430E+00
DAV: 9 -0.383580679616E+03 0.54669E+00 -0.10617E+00 327 0.229E+00 0.119E+00
DAV: 10 -0.383522783531E+03 0.57896E-01 -0.26972E-01 327 0.102E+00 0.120E+00
DAV: 11 -0.383495678999E+03 0.27105E-01 -0.25257E-01 327 0.617E-01 0.914E-01
DAV: 12 -0.383479292668E+03 0.16386E-01 -0.10070E-01 363 0.632E-01 0.102E+00
DAV: 13 -0.383459149184E+03 0.20143E-01 -0.21815E-02 381 0.479E-01 0.491E-01
DAV: 14 -0.383446457563E+03 0.12692E-01 -0.21106E-02 309 0.420E-01 0.357E-01
DAV: 15 -0.383444498673E+03 0.19589E-02 -0.13307E-02 318 0.363E-01 0.226E-01
DAV: 16 -0.383449377841E+03 -0.48792E-02 -0.61008E-03 300 0.233E-01 0.149E-01
DAV: 17 -0.383461697090E+03 -0.12319E-01 -0.43147E-03 291 0.192E-01 0.995E-02
DAV: 18 -0.383471699386E+03 -0.10002E-01 -0.31602E-03 318 0.159E-01 0.105E-01
DAV: 19 -0.383479034070E+03 -0.73347E-02 -0.13521E-03 318 0.116E-01 0.496E-02
DAV: 20 -0.383484905238E+03 -0.58712E-02 -0.42608E-04 318 0.538E-02 0.575E-02
DAV: 21 -0.383489670320E+03 -0.47651E-02 -0.20512E-04 309 0.380E-02 0.214E-02
DAV: 22 -0.383494816507E+03 -0.51462E-02 -0.31323E-04 309 0.339E-02 0.140E-02
DAV: 23 -0.383496463849E+03 -0.16473E-02 -0.58015E-05 309 0.160E-02 0.958E-03
DAV: 24 -0.383497888982E+03 -0.14251E-02 -0.66691E-05 300 0.179E-02 0.908E-03
DAV: 25 -0.383498675794E+03 -0.78681E-03 -0.29727E-05 264 0.102E-02 0.897E-03
DAV: 26 -0.383498986518E+03 -0.31072E-03 -0.17299E-05 255 0.115E-02 0.308E-03
DAV: 27 -0.383499096450E+03 -0.10993E-03 -0.38341E-06 237 0.538E-03 0.239E-03
DAV: 28 -0.383499220548E+03 -0.12410E-03 -0.33887E-06 201 0.452E-03 0.214E-03
DAV: 29 -0.383499300600E+03 -0.80052E-04 -0.29675E-06 219 0.373E-03 0.166E-03
DAV: 30 -0.383499329649E+03 -0.29049E-04 -0.10056E-06 219 0.305E-03 0.683E-04
DAV: 31 -0.383499350993E+03 -0.21343E-04 -0.20904E-06 201 0.363E-03 0.225E-03
DAV: 32 -0.383499352408E+03 -0.14154E-05 -0.37189E-07 237 0.209E-03
1 F= -.38349935E+03 E0= -.38351599E+03 d E =0.498982E-01