iterations/neb0_image09_iter57_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 0.143209645011E+04 0.14321E+04 -0.44051E+04 330 0.697E+02
DAV: 2 0.230197502687E+03 -0.12019E+04 -0.11287E+04 417 0.162E+02
DAV: 3 -0.354178062953E+03 -0.58438E+03 -0.57896E+03 363 0.113E+02
DAV: 4 -0.422771727064E+03 -0.68594E+02 -0.68211E+02 309 0.486E+01
DAV: 5 -0.424367355842E+03 -0.15956E+01 -0.15916E+01 345 0.766E+00 0.419E+01
DAV: 6 -0.379456870962E+03 0.44910E+02 -0.15557E+02 309 0.292E+01 0.216E+01
DAV: 7 -0.377653093455E+03 0.18038E+01 -0.41235E+01 372 0.901E+00 0.120E+01
DAV: 8 -0.375041743868E+03 0.26113E+01 -0.42494E+00 390 0.521E+00 0.612E+00
DAV: 9 -0.374817408865E+03 0.22434E+00 -0.65392E+00 318 0.334E+00 0.906E+00
DAV: 10 -0.374349673311E+03 0.46774E+00 -0.10974E+01 354 0.172E+00 0.215E+00
DAV: 11 -0.374255104915E+03 0.94568E-01 -0.29862E-01 318 0.107E+00 0.145E+00
DAV: 12 -0.374206756066E+03 0.48349E-01 -0.32444E-02 345 0.497E-01 0.124E+00
DAV: 13 -0.374155351017E+03 0.51405E-01 -0.67412E-02 363 0.552E-01 0.812E-01
DAV: 14 -0.374151949176E+03 0.34018E-02 -0.16564E-02 318 0.354E-01 0.905E-01
DAV: 15 -0.374148512595E+03 0.34366E-02 -0.82747E-02 399 0.328E-01 0.325E-01
DAV: 16 -0.374157481352E+03 -0.89688E-02 -0.92555E-03 309 0.214E-01 0.980E-02
DAV: 17 -0.374167177149E+03 -0.96958E-02 -0.43881E-03 300 0.192E-01 0.208E-01
DAV: 18 -0.374175203335E+03 -0.80262E-02 -0.21999E-03 318 0.125E-01 0.167E-01
DAV: 19 -0.374182051255E+03 -0.68479E-02 -0.22638E-03 354 0.706E-02 0.875E-02
DAV: 20 -0.374187370620E+03 -0.53194E-02 -0.44495E-04 309 0.494E-02 0.485E-02
DAV: 21 -0.374191319445E+03 -0.39488E-02 -0.28220E-04 327 0.385E-02 0.441E-02
DAV: 22 -0.374193200833E+03 -0.18814E-02 -0.19840E-04 327 0.213E-02 0.155E-02
DAV: 23 -0.374194244747E+03 -0.10439E-02 -0.34017E-05 255 0.155E-02 0.122E-02
DAV: 24 -0.374194891754E+03 -0.64701E-03 -0.32372E-05 264 0.126E-02 0.801E-03
DAV: 25 -0.374195333319E+03 -0.44157E-03 -0.13185E-05 210 0.102E-02 0.536E-03
DAV: 26 -0.374195602995E+03 -0.26968E-03 -0.17244E-05 237 0.787E-03 0.580E-03
DAV: 27 -0.374195717382E+03 -0.11439E-03 -0.42280E-06 228 0.691E-03 0.236E-03
DAV: 28 -0.374195788027E+03 -0.70645E-04 -0.61868E-06 210 0.655E-03 0.290E-03
DAV: 29 -0.374195813352E+03 -0.25326E-04 -0.12525E-06 228 0.344E-03 0.152E-03
DAV: 30 -0.374195841596E+03 -0.28244E-04 -0.24075E-06 210 0.401E-03 0.175E-03
DAV: 31 -0.374195846479E+03 -0.48831E-05 -0.42347E-07 237 0.209E-03
1 F= -.37419585E+03 E0= -.37420450E+03 d E =0.259713E-01