iterations/neb0_image01_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 0.144780831478E+04 0.14478E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.227676533008E+03 -0.12201E+04 -0.11430E+04 426 0.163E+02
DAV: 3 -0.363008899510E+03 -0.59069E+03 -0.58729E+03 345 0.114E+02
DAV: 4 -0.433522159147E+03 -0.70513E+02 -0.70248E+02 318 0.511E+01
DAV: 5 -0.435105092354E+03 -0.15829E+01 -0.15805E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389084472397E+03 0.46021E+02 -0.14826E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385618381818E+03 0.34661E+01 -0.13370E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.384153783562E+03 0.14646E+01 -0.23581E+00 336 0.385E+00 0.435E+00
DAV: 9 -0.383600433230E+03 0.55335E+00 -0.15458E+00 327 0.237E+00 0.123E+00
DAV: 10 -0.383522737846E+03 0.77695E-01 -0.14968E-01 318 0.107E+00 0.108E+00
DAV: 11 -0.383507348958E+03 0.15389E-01 -0.51011E-01 327 0.898E-01 0.792E-01
DAV: 12 -0.383483101591E+03 0.24247E-01 -0.51891E-02 318 0.472E-01 0.793E-01
DAV: 13 -0.383470508855E+03 0.12593E-01 -0.16637E-01 381 0.542E-01 0.841E-01
DAV: 14 -0.383460453692E+03 0.10055E-01 -0.21646E-01 372 0.479E-01 0.867E-01
DAV: 15 -0.383447872808E+03 0.12581E-01 -0.60296E-02 345 0.370E-01 0.234E-01
DAV: 16 -0.383450408823E+03 -0.25360E-02 -0.88265E-03 300 0.271E-01 0.189E-01
DAV: 17 -0.383454484593E+03 -0.40758E-02 -0.26840E-03 309 0.158E-01 0.147E-01
DAV: 18 -0.383466929942E+03 -0.12445E-01 -0.52689E-03 282 0.204E-01 0.133E-01
DAV: 19 -0.383473328034E+03 -0.63981E-02 -0.26245E-03 327 0.127E-01 0.165E-01
DAV: 20 -0.383478792332E+03 -0.54643E-02 -0.19680E-03 309 0.772E-02 0.604E-02
DAV: 21 -0.383489128186E+03 -0.10336E-01 -0.12937E-03 309 0.807E-02 0.104E-01
DAV: 22 -0.383492730643E+03 -0.36025E-02 -0.41445E-04 336 0.551E-02 0.732E-02
DAV: 23 -0.383495044022E+03 -0.23134E-02 -0.13197E-04 327 0.303E-02 0.376E-02
DAV: 24 -0.383497827070E+03 -0.27830E-02 -0.11507E-04 327 0.225E-02 0.196E-02
DAV: 25 -0.383500654491E+03 -0.28274E-02 -0.16320E-04 300 0.224E-02 0.110E-02
DAV: 26 -0.383501589292E+03 -0.93480E-03 -0.42380E-05 309 0.123E-02 0.142E-02
DAV: 27 -0.383502100811E+03 -0.51152E-03 -0.11969E-05 219 0.752E-03 0.114E-02
DAV: 28 -0.383502434384E+03 -0.33357E-03 -0.19534E-05 264 0.812E-03 0.344E-03
DAV: 29 -0.383502481263E+03 -0.46879E-04 -0.16399E-06 237 0.354E-03 0.251E-03
DAV: 30 -0.383502615128E+03 -0.13386E-03 -0.43698E-06 201 0.406E-03 0.298E-03
DAV: 31 -0.383502665088E+03 -0.49960E-04 -0.22344E-06 228 0.280E-03 0.159E-03
DAV: 32 -0.383502675327E+03 -0.10239E-04 -0.43528E-07 237 0.162E-03 0.106E-03
DAV: 33 -0.383502705532E+03 -0.30205E-04 -0.11480E-06 192 0.269E-03 0.113E-03
DAV: 34 -0.383502712091E+03 -0.65591E-05 -0.35550E-07 228 0.131E-03
1 F= -.38350271E+03 E0= -.38351915E+03 d E =0.493078E-01