./iterations/neb0_image01_iter1_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.144719400374E+04 0.14472E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224144477261E+03 -0.12230E+04 -0.11459E+04 435 0.163E+02
DAV: 3 -0.363082241497E+03 -0.58723E+03 -0.58379E+03 345 0.114E+02
DAV: 4 -0.433510522631E+03 -0.70428E+02 -0.70153E+02 318 0.508E+01
DAV: 5 -0.435082488001E+03 -0.15720E+01 -0.15695E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389101714941E+03 0.45981E+02 -0.14806E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385630190402E+03 0.34715E+01 -0.13605E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384151616777E+03 0.14786E+01 -0.21195E+00 327 0.383E+00 0.433E+00
DAV: 9 -0.383610105021E+03 0.54151E+00 -0.17615E+00 336 0.243E+00 0.138E+00
DAV: 10 -0.383540143364E+03 0.69962E-01 -0.29343E-01 318 0.114E+00 0.105E+00
DAV: 11 -0.383518969739E+03 0.21174E-01 -0.28602E-01 354 0.648E-01 0.992E-01
DAV: 12 -0.383491671680E+03 0.27298E-01 -0.22294E-01 327 0.696E-01 0.896E-01
DAV: 13 -0.383476104741E+03 0.15567E-01 -0.17278E-01 363 0.541E-01 0.677E-01
DAV: 14 -0.383463842227E+03 0.12263E-01 -0.22577E-02 354 0.384E-01 0.328E-01
DAV: 15 -0.383461356445E+03 0.24858E-02 -0.12524E-02 309 0.374E-01 0.187E-01
DAV: 16 -0.383467822291E+03 -0.64658E-02 -0.63157E-03 336 0.250E-01 0.193E-01
DAV: 17 -0.383476251222E+03 -0.84289E-02 -0.28418E-03 300 0.181E-01 0.166E-01
DAV: 18 -0.383482963105E+03 -0.67119E-02 -0.26167E-03 363 0.157E-01 0.133E-01
DAV: 19 -0.383489789294E+03 -0.68262E-02 -0.29531E-03 363 0.145E-01 0.126E-01
DAV: 20 -0.383493439629E+03 -0.36503E-02 -0.10469E-03 300 0.755E-02 0.103E-01
DAV: 21 -0.383496600156E+03 -0.31605E-02 -0.88864E-04 318 0.595E-02 0.991E-02
DAV: 22 -0.383502394113E+03 -0.57940E-02 -0.11078E-03 318 0.611E-02 0.619E-02
DAV: 23 -0.383505227798E+03 -0.28337E-02 -0.19230E-04 318 0.337E-02 0.368E-02
DAV: 24 -0.383508448387E+03 -0.32206E-02 -0.15921E-04 291 0.279E-02 0.275E-02
DAV: 25 -0.383510811808E+03 -0.23634E-02 -0.30907E-04 318 0.340E-02 0.442E-02
DAV: 26 -0.383511590330E+03 -0.77852E-03 -0.50363E-05 318 0.183E-02 0.240E-02
DAV: 27 -0.383512332122E+03 -0.74179E-03 -0.71900E-05 291 0.181E-02 0.767E-03
DAV: 28 -0.383512828990E+03 -0.49687E-03 -0.22801E-05 273 0.105E-02 0.723E-03
DAV: 29 -0.383513027959E+03 -0.19897E-03 -0.54708E-06 228 0.529E-03 0.624E-03
DAV: 30 -0.383513237495E+03 -0.20954E-03 -0.13127E-05 219 0.704E-03 0.392E-03
DAV: 31 -0.383513303932E+03 -0.66436E-04 -0.33034E-06 228 0.390E-03 0.217E-03
DAV: 32 -0.383513350177E+03 -0.46245E-04 -0.21390E-06 210 0.296E-03 0.153E-03
DAV: 33 -0.383513374906E+03 -0.24729E-04 -0.91039E-07 228 0.202E-03 0.963E-04
DAV: 34 -0.383513388628E+03 -0.13722E-04 -0.65746E-07 210 0.165E-03 0.674E-04
DAV: 35 -0.383513400708E+03 -0.12080E-04 -0.44678E-07 201 0.119E-03 0.549E-04
DAV: 36 -0.383513405459E+03 -0.47513E-05 -0.27620E-07 228 0.967E-04
1 F= -.38351341E+03 E0= -.38353008E+03 d E =0.500326E-01