iterations/neb0_image05_iter42_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 0.143547431657E+04 0.14355E+04 -0.44143E+04 330 0.697E+02
DAV: 2 0.237127270983E+03 -0.11983E+04 -0.11241E+04 408 0.162E+02
DAV: 3 -0.355218428438E+03 -0.59235E+03 -0.58816E+03 363 0.115E+02
DAV: 4 -0.425614140134E+03 -0.70396E+02 -0.70029E+02 309 0.495E+01
DAV: 5 -0.427271733928E+03 -0.16576E+01 -0.16534E+01 318 0.781E+00 0.421E+01
DAV: 6 -0.382754967726E+03 0.44517E+02 -0.14757E+02 309 0.285E+01 0.207E+01
DAV: 7 -0.379400641355E+03 0.33543E+01 -0.11372E+01 336 0.783E+00 0.103E+01
DAV: 8 -0.377979821177E+03 0.14208E+01 -0.19016E+00 327 0.379E+00 0.429E+00
DAV: 9 -0.377462283690E+03 0.51754E+00 -0.13257E+00 327 0.211E+00 0.114E+00
DAV: 10 -0.377389827841E+03 0.72456E-01 -0.10010E-01 336 0.911E-01 0.101E+00
DAV: 11 -0.377385345236E+03 0.44826E-02 -0.10243E-01 336 0.902E-01 0.769E-01
DAV: 12 -0.377359661317E+03 0.25684E-01 -0.28428E-02 318 0.505E-01 0.846E-01
DAV: 13 -0.377330328910E+03 0.29332E-01 -0.13079E-01 372 0.527E-01 0.445E-01
DAV: 14 -0.377329013649E+03 0.13153E-02 -0.89969E-02 336 0.405E-01 0.652E-01
DAV: 15 -0.377326475372E+03 0.25383E-02 -0.45794E-02 318 0.328E-01 0.319E-01
DAV: 16 -0.377327070256E+03 -0.59488E-03 -0.56872E-03 345 0.221E-01 0.188E-01
DAV: 17 -0.377332179505E+03 -0.51092E-02 -0.30512E-03 309 0.191E-01 0.153E-01
DAV: 18 -0.377344184972E+03 -0.12005E-01 -0.44681E-03 327 0.260E-01 0.171E-01
DAV: 19 -0.377346405154E+03 -0.22202E-02 -0.25758E-03 318 0.120E-01 0.116E-01
DAV: 20 -0.377350016835E+03 -0.36117E-02 -0.78081E-04 300 0.623E-02 0.747E-02
DAV: 21 -0.377357252343E+03 -0.72355E-02 -0.68572E-04 300 0.673E-02 0.571E-02
DAV: 22 -0.377361351401E+03 -0.40991E-02 -0.32087E-04 336 0.432E-02 0.405E-02
DAV: 23 -0.377367564036E+03 -0.62126E-02 -0.49492E-04 309 0.472E-02 0.714E-02
DAV: 24 -0.377370469130E+03 -0.29051E-02 -0.18026E-04 327 0.337E-02 0.504E-02
DAV: 25 -0.377371730842E+03 -0.12617E-02 -0.18352E-04 336 0.209E-02 0.169E-02
DAV: 26 -0.377373212321E+03 -0.14815E-02 -0.60831E-05 282 0.176E-02 0.117E-02
DAV: 27 -0.377373827856E+03 -0.61553E-03 -0.11380E-05 237 0.761E-03 0.103E-02
DAV: 28 -0.377374633846E+03 -0.80599E-03 -0.46260E-05 273 0.103E-02 0.563E-03
DAV: 29 -0.377374843465E+03 -0.20962E-03 -0.65434E-06 228 0.615E-03 0.511E-03
DAV: 30 -0.377374978416E+03 -0.13495E-03 -0.76905E-06 210 0.551E-03 0.257E-03
DAV: 31 -0.377375030133E+03 -0.51717E-04 -0.20252E-06 228 0.296E-03 0.185E-03
DAV: 32 -0.377375070541E+03 -0.40407E-04 -0.13505E-06 201 0.214E-03 0.152E-03
DAV: 33 -0.377375098758E+03 -0.28217E-04 -0.13062E-06 219 0.242E-03 0.126E-03
DAV: 34 -0.377375109325E+03 -0.10567E-04 -0.56729E-07 219 0.158E-03 0.149E-03
DAV: 35 -0.377375112500E+03 -0.31756E-05 -0.24061E-07 228 0.904E-04
1 F= -.37737511E+03 E0= -.37740063E+03 d E =0.765522E-01