iterations/neb0_image01_iter15_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 0.144727971535E+04 0.14473E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224175068823E+03 -0.12231E+04 -0.11459E+04 435 0.163E+02
DAV: 3 -0.363092570029E+03 -0.58727E+03 -0.58383E+03 345 0.114E+02
DAV: 4 -0.433523792171E+03 -0.70431E+02 -0.70155E+02 318 0.508E+01
DAV: 5 -0.435095926468E+03 -0.15721E+01 -0.15696E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389103205762E+03 0.45993E+02 -0.14808E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385628388117E+03 0.34748E+01 -0.13496E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384150715736E+03 0.14777E+01 -0.20928E+00 327 0.381E+00 0.432E+00
DAV: 9 -0.383607249493E+03 0.54347E+00 -0.16775E+00 336 0.241E+00 0.138E+00
DAV: 10 -0.383544119455E+03 0.63130E-01 -0.36989E-01 318 0.115E+00 0.104E+00
DAV: 11 -0.383514634801E+03 0.29485E-01 -0.19934E-01 336 0.640E-01 0.958E-01
DAV: 12 -0.383493599364E+03 0.21035E-01 -0.24394E-01 327 0.711E-01 0.881E-01
DAV: 13 -0.383478948058E+03 0.14651E-01 -0.17322E-01 354 0.539E-01 0.745E-01
DAV: 14 -0.383465009790E+03 0.13938E-01 -0.61504E-02 345 0.397E-01 0.425E-01
DAV: 15 -0.383462446811E+03 0.25630E-02 -0.20619E-02 309 0.385E-01 0.324E-01
DAV: 16 -0.383466962889E+03 -0.45161E-02 -0.12795E-02 336 0.265E-01 0.203E-01
DAV: 17 -0.383473754435E+03 -0.67915E-02 -0.26491E-03 282 0.157E-01 0.165E-01
DAV: 18 -0.383483406669E+03 -0.96522E-02 -0.34174E-03 372 0.194E-01 0.146E-01
DAV: 19 -0.383489630965E+03 -0.62243E-02 -0.35109E-03 354 0.161E-01 0.121E-01
DAV: 20 -0.383494238459E+03 -0.46075E-02 -0.10213E-03 291 0.790E-02 0.152E-01
DAV: 21 -0.383495657068E+03 -0.14186E-02 -0.20973E-03 372 0.680E-02 0.144E-01
DAV: 22 -0.383502678841E+03 -0.70218E-02 -0.18968E-03 291 0.750E-02 0.780E-02
DAV: 23 -0.383505112870E+03 -0.24340E-02 -0.25936E-04 327 0.375E-02 0.609E-02
DAV: 24 -0.383507573434E+03 -0.24606E-02 -0.10960E-04 309 0.277E-02 0.360E-02
DAV: 25 -0.383510458529E+03 -0.28851E-02 -0.39123E-04 336 0.383E-02 0.426E-02
DAV: 26 -0.383511830402E+03 -0.13719E-02 -0.83898E-05 318 0.243E-02 0.214E-02
DAV: 27 -0.383512524612E+03 -0.69421E-03 -0.35616E-05 291 0.131E-02 0.123E-02
DAV: 28 -0.383513048593E+03 -0.52398E-03 -0.25466E-05 264 0.111E-02 0.787E-03
DAV: 29 -0.383513420775E+03 -0.37218E-03 -0.15699E-05 237 0.816E-03 0.846E-03
DAV: 30 -0.383513527437E+03 -0.10666E-03 -0.43306E-06 237 0.476E-03 0.575E-03
DAV: 31 -0.383513653247E+03 -0.12581E-03 -0.65534E-06 201 0.550E-03 0.691E-03
DAV: 32 -0.383513723300E+03 -0.70053E-04 -0.29393E-06 219 0.426E-03 0.254E-03
DAV: 33 -0.383513744235E+03 -0.20935E-04 -0.16638E-06 228 0.287E-03 0.235E-03
DAV: 34 -0.383513767792E+03 -0.23558E-04 -0.82245E-07 192 0.223E-03 0.971E-04
DAV: 35 -0.383513780615E+03 -0.12823E-04 -0.72061E-07 210 0.169E-03 0.111E-03
DAV: 36 -0.383513789677E+03 -0.90616E-05 -0.28520E-07 228 0.113E-03
1 F= -.38351379E+03 E0= -.38353045E+03 d E =0.499924E-01