iterations/neb0_image04_iter55_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 0.144803134115E+04 0.14480E+04 -0.44210E+04 330 0.697E+02
DAV: 2 0.230870322362E+03 -0.12172E+04 -0.11399E+04 417 0.163E+02
DAV: 3 -0.364355891892E+03 -0.59523E+03 -0.59197E+03 354 0.114E+02
DAV: 4 -0.433322935298E+03 -0.68967E+02 -0.68715E+02 309 0.497E+01
DAV: 5 -0.434870410110E+03 -0.15475E+01 -0.15449E+01 327 0.768E+00 0.426E+01
DAV: 6 -0.388939920556E+03 0.45930E+02 -0.14880E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385462376306E+03 0.34775E+01 -0.12967E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.383993269815E+03 0.14691E+01 -0.19105E+00 336 0.378E+00 0.426E+00
DAV: 9 -0.383444979353E+03 0.54829E+00 -0.10233E+00 336 0.204E+00 0.995E-01
DAV: 10 -0.383379648803E+03 0.65331E-01 -0.10117E-01 327 0.884E-01 0.948E-01
DAV: 11 -0.383370480382E+03 0.91684E-02 -0.40483E-01 363 0.771E-01 0.965E-01
DAV: 12 -0.383337530561E+03 0.32950E-01 -0.14109E-01 318 0.519E-01 0.826E-01
DAV: 13 -0.383329080721E+03 0.84498E-02 -0.98401E-02 336 0.317E-01 0.702E-01
DAV: 14 -0.383312162460E+03 0.16918E-01 -0.61323E-02 309 0.479E-01 0.280E-01
DAV: 15 -0.383315428476E+03 -0.32660E-02 -0.25473E-02 336 0.318E-01 0.300E-01
DAV: 16 -0.383320221279E+03 -0.47928E-02 -0.95261E-03 300 0.188E-01 0.129E-01
DAV: 17 -0.383332360803E+03 -0.12140E-01 -0.45919E-03 291 0.198E-01 0.122E-01
DAV: 18 -0.383341791123E+03 -0.94303E-02 -0.26289E-03 318 0.140E-01 0.537E-02
DAV: 19 -0.383349896142E+03 -0.81050E-02 -0.84625E-04 327 0.890E-02 0.375E-02
DAV: 20 -0.383356972855E+03 -0.70767E-02 -0.33253E-04 300 0.423E-02 0.292E-02
DAV: 21 -0.383362445801E+03 -0.54729E-02 -0.30731E-04 327 0.351E-02 0.139E-02
DAV: 22 -0.383365925041E+03 -0.34792E-02 -0.19332E-04 291 0.249E-02 0.176E-02
DAV: 23 -0.383366742615E+03 -0.81757E-03 -0.35628E-05 282 0.154E-02 0.876E-03
DAV: 24 -0.383367861605E+03 -0.11190E-02 -0.61188E-05 282 0.142E-02 0.917E-03
DAV: 25 -0.383368181203E+03 -0.31960E-03 -0.84798E-06 228 0.770E-03 0.667E-03
DAV: 26 -0.383368427393E+03 -0.24619E-03 -0.18486E-05 228 0.106E-02 0.390E-03
DAV: 27 -0.383368484549E+03 -0.57157E-04 -0.21771E-06 237 0.549E-03 0.213E-03
DAV: 28 -0.383368566105E+03 -0.81555E-04 -0.38930E-06 192 0.471E-03 0.198E-03
DAV: 29 -0.383368593623E+03 -0.27518E-04 -0.82342E-07 228 0.298E-03 0.173E-03
DAV: 30 -0.383368622285E+03 -0.28662E-04 -0.23923E-06 201 0.439E-03 0.284E-03
DAV: 31 -0.383368631408E+03 -0.91227E-05 -0.60652E-07 219 0.261E-03
1 F= -.38336863E+03 E0= -.38338172E+03 d E =0.392751E-01