iterations/neb0_image07_iter60_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 0.144129741097E+04 0.14413E+04 -0.44176E+04 330 0.697E+02
DAV: 2 0.229667449631E+03 -0.12116E+04 -0.11355E+04 417 0.163E+02
DAV: 3 -0.358636535076E+03 -0.58830E+03 -0.58471E+03 354 0.114E+02
DAV: 4 -0.429469106275E+03 -0.70833E+02 -0.70538E+02 309 0.508E+01
DAV: 5 -0.431102640796E+03 -0.16335E+01 -0.16306E+01 345 0.787E+00 0.423E+01
DAV: 6 -0.386008596848E+03 0.45094E+02 -0.14748E+02 309 0.286E+01 0.207E+01
DAV: 7 -0.382720366226E+03 0.32882E+01 -0.12581E+01 336 0.773E+00 0.103E+01
DAV: 8 -0.381287505675E+03 0.14329E+01 -0.18693E+00 336 0.386E+00 0.423E+00
DAV: 9 -0.380732182183E+03 0.55532E+00 -0.58056E-01 327 0.190E+00 0.940E-01
DAV: 10 -0.380689755112E+03 0.42427E-01 -0.32084E-01 336 0.992E-01 0.113E+00
DAV: 11 -0.380665680766E+03 0.24074E-01 -0.14503E-01 327 0.512E-01 0.648E-01
DAV: 12 -0.380637462961E+03 0.28218E-01 -0.23744E-02 318 0.429E-01 0.362E-01
DAV: 13 -0.380623393725E+03 0.14069E-01 -0.26169E-02 318 0.524E-01 0.543E-01
DAV: 14 -0.380621107804E+03 0.22859E-02 -0.14743E-02 318 0.248E-01 0.227E-01
DAV: 15 -0.380625065861E+03 -0.39581E-02 -0.52192E-03 300 0.216E-01 0.144E-01
DAV: 16 -0.380634782261E+03 -0.97164E-02 -0.49741E-03 327 0.231E-01 0.136E-01
DAV: 17 -0.380646659898E+03 -0.11878E-01 -0.35892E-03 318 0.215E-01 0.799E-02
DAV: 18 -0.380655756661E+03 -0.90968E-02 -0.18063E-03 318 0.128E-01 0.665E-02
DAV: 19 -0.380659611745E+03 -0.38551E-02 -0.37477E-04 327 0.553E-02 0.510E-02
DAV: 20 -0.380665456880E+03 -0.58451E-02 -0.35188E-04 318 0.432E-02 0.263E-02
DAV: 21 -0.380669645996E+03 -0.41891E-02 -0.14620E-04 318 0.300E-02 0.202E-02
DAV: 22 -0.380673539682E+03 -0.38937E-02 -0.22035E-04 291 0.296E-02 0.156E-02
DAV: 23 -0.380675379889E+03 -0.18402E-02 -0.83040E-05 300 0.188E-02 0.910E-03
DAV: 24 -0.380676289132E+03 -0.90924E-03 -0.35296E-05 291 0.131E-02 0.865E-03
DAV: 25 -0.380676815281E+03 -0.52615E-03 -0.14190E-05 228 0.891E-03 0.421E-03
DAV: 26 -0.380677127635E+03 -0.31235E-03 -0.19921E-05 255 0.105E-02 0.522E-03
DAV: 27 -0.380677230421E+03 -0.10279E-03 -0.35498E-06 228 0.737E-03 0.298E-03
DAV: 28 -0.380677298594E+03 -0.68173E-04 -0.57986E-06 228 0.630E-03 0.286E-03
DAV: 29 -0.380677341764E+03 -0.43170E-04 -0.15209E-06 219 0.406E-03 0.150E-03
DAV: 30 -0.380677385743E+03 -0.43979E-04 -0.31432E-06 219 0.427E-03 0.207E-03
DAV: 31 -0.380677394693E+03 -0.89501E-05 -0.63254E-07 228 0.284E-03
1 F= -.38067739E+03 E0= -.38069449E+03 d E =0.512928E-01