./iterations/neb0_image07_iter17_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.163000717507E+04 0.16300E+04 -0.42281E+04 306 0.696E+02
DAV: 2 0.303808744189E+03 -0.13262E+04 -0.12472E+04 420 0.167E+02
DAV: 3 -0.355137644372E+03 -0.65895E+03 -0.65300E+03 356 0.123E+02
DAV: 4 -0.432944669211E+03 -0.77807E+02 -0.77521E+02 308 0.545E+01
DAV: 5 -0.434712000096E+03 -0.17673E+01 -0.17641E+01 332 0.838E+00 0.426E+01
DAV: 6 -0.388831161607E+03 0.45881E+02 -0.14813E+02 308 0.285E+01 0.208E+01
DAV: 7 -0.385319376917E+03 0.35118E+01 -0.12509E+01 348 0.782E+00 0.104E+01
DAV: 8 -0.383897516552E+03 0.14219E+01 -0.22908E+00 332 0.385E+00 0.420E+00
DAV: 9 -0.383326090492E+03 0.57143E+00 -0.63412E-01 332 0.202E+00 0.963E-01
DAV: 10 -0.383280739128E+03 0.45351E-01 -0.24616E-01 348 0.106E+00 0.101E+00
DAV: 11 -0.383261134462E+03 0.19605E-01 -0.14590E-01 332 0.466E-01 0.626E-01
DAV: 12 -0.383235150734E+03 0.25984E-01 -0.19918E-02 316 0.429E-01 0.352E-01
DAV: 13 -0.383223766762E+03 0.11384E-01 -0.10322E-01 324 0.627E-01 0.825E-01
DAV: 14 -0.383214878865E+03 0.88879E-02 -0.60012E-02 324 0.313E-01 0.221E-01
DAV: 15 -0.383221812969E+03 -0.69341E-02 -0.51669E-03 292 0.278E-01 0.163E-01
DAV: 16 -0.383231898913E+03 -0.10086E-01 -0.57504E-03 316 0.277E-01 0.128E-01
DAV: 17 -0.383243743118E+03 -0.11844E-01 -0.38546E-03 324 0.229E-01 0.809E-02
DAV: 18 -0.383253408331E+03 -0.96652E-02 -0.20984E-03 356 0.169E-01 0.568E-02
DAV: 19 -0.383258174528E+03 -0.47662E-02 -0.89255E-04 340 0.110E-01 0.585E-02
DAV: 20 -0.383261271067E+03 -0.30965E-02 -0.33687E-04 364 0.683E-02 0.541E-02
DAV: 21 -0.383261376082E+03 -0.10501E-03 -0.11709E-04 324 0.261E-02 0.556E-02
DAV: 22 -0.383261371246E+03 0.48353E-05 -0.17715E-06 228 0.326E-03
1 F= -.38326137E+03 E0= -.38327793E+03 d E =0.496818E-01