iterations/neb0_image05_iter4_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 0.145024593377E+04 0.14502E+04 -0.44208E+04 330 0.697E+02
DAV: 2 0.232720878244E+03 -0.12175E+04 -0.11428E+04 417 0.163E+02
DAV: 3 -0.364719167943E+03 -0.59744E+03 -0.59415E+03 354 0.114E+02
DAV: 4 -0.433220167799E+03 -0.68501E+02 -0.68265E+02 309 0.495E+01
DAV: 5 -0.434726974756E+03 -0.15068E+01 -0.15040E+01 327 0.763E+00 0.426E+01
DAV: 6 -0.388916777796E+03 0.45810E+02 -0.14796E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385489578283E+03 0.34272E+01 -0.13487E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384035532436E+03 0.14540E+01 -0.23883E+00 336 0.389E+00 0.436E+00
DAV: 9 -0.383491906664E+03 0.54363E+00 -0.15372E+00 327 0.242E+00 0.128E+00
DAV: 10 -0.383409848745E+03 0.82058E-01 -0.15845E-01 327 0.113E+00 0.992E-01
DAV: 11 -0.383391464541E+03 0.18384E-01 -0.29762E-01 327 0.998E-01 0.813E-01
DAV: 12 -0.383368334210E+03 0.23130E-01 -0.12541E-01 327 0.609E-01 0.776E-01
DAV: 13 -0.383358436227E+03 0.98980E-02 -0.33841E-02 327 0.287E-01 0.501E-01
DAV: 14 -0.383354726993E+03 0.37092E-02 -0.23285E-02 345 0.459E-01 0.832E-01
DAV: 15 -0.383339840294E+03 0.14887E-01 -0.88380E-02 318 0.420E-01 0.318E-01
DAV: 16 -0.383341006779E+03 -0.11665E-02 -0.89328E-03 300 0.296E-01 0.179E-01
DAV: 17 -0.383347020189E+03 -0.60134E-02 -0.49814E-03 336 0.250E-01 0.160E-01
DAV: 18 -0.383357623502E+03 -0.10603E-01 -0.67653E-03 327 0.220E-01 0.220E-01
DAV: 19 -0.383357300293E+03 0.32321E-03 -0.16786E-03 336 0.104E-01 0.112E-01
DAV: 20 -0.383364219379E+03 -0.69191E-02 -0.10726E-03 291 0.855E-02 0.875E-02
DAV: 21 -0.383372477086E+03 -0.82577E-02 -0.96127E-04 300 0.888E-02 0.609E-02
DAV: 22 -0.383379778403E+03 -0.73013E-02 -0.66285E-04 336 0.761E-02 0.325E-02
DAV: 23 -0.383384129207E+03 -0.43508E-02 -0.21123E-04 318 0.370E-02 0.291E-02
DAV: 24 -0.383386677310E+03 -0.25481E-02 -0.10019E-04 327 0.241E-02 0.182E-02
DAV: 25 -0.383388906882E+03 -0.22296E-02 -0.92498E-05 282 0.184E-02 0.152E-02
DAV: 26 -0.383389885965E+03 -0.97908E-03 -0.65004E-05 291 0.148E-02 0.151E-02
DAV: 27 -0.383390568876E+03 -0.68291E-03 -0.34989E-05 282 0.130E-02 0.161E-02
DAV: 28 -0.383390796513E+03 -0.22764E-03 -0.12033E-05 228 0.794E-03 0.730E-03
DAV: 29 -0.383390893923E+03 -0.97411E-04 -0.66875E-06 237 0.707E-03 0.368E-03
DAV: 30 -0.383391057276E+03 -0.16335E-03 -0.55498E-06 210 0.507E-03 0.432E-03
DAV: 31 -0.383391094892E+03 -0.37616E-04 -0.21910E-06 237 0.305E-03 0.250E-03
DAV: 32 -0.383391144355E+03 -0.49463E-04 -0.20099E-06 201 0.303E-03 0.179E-03
DAV: 33 -0.383391172126E+03 -0.27771E-04 -0.13735E-06 228 0.239E-03 0.140E-03
DAV: 34 -0.383391180706E+03 -0.85806E-05 -0.54640E-07 219 0.146E-03
1 F= -.38339118E+03 E0= -.38340800E+03 d E =0.504534E-01