iterations/neb0_image01_iter37_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 0.144723652874E+04 0.14472E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.227871094601E+03 -0.12194E+04 -0.11423E+04 426 0.163E+02
DAV: 3 -0.362844717891E+03 -0.59072E+03 -0.58733E+03 345 0.114E+02
DAV: 4 -0.433508630356E+03 -0.70664E+02 -0.70394E+02 318 0.512E+01
DAV: 5 -0.435093686180E+03 -0.15851E+01 -0.15827E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389099888757E+03 0.45994E+02 -0.14800E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385622690691E+03 0.34772E+01 -0.13401E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384148911956E+03 0.14738E+01 -0.20792E+00 327 0.381E+00 0.430E+00
DAV: 9 -0.383602759926E+03 0.54615E+00 -0.15516E+00 345 0.237E+00 0.134E+00
DAV: 10 -0.383543261121E+03 0.59499E-01 -0.38499E-01 318 0.113E+00 0.103E+00
DAV: 11 -0.383511657229E+03 0.31604E-01 -0.16588E-01 336 0.626E-01 0.913E-01
DAV: 12 -0.383495552197E+03 0.16105E-01 -0.22755E-01 336 0.713E-01 0.914E-01
DAV: 13 -0.383479310659E+03 0.16242E-01 -0.18171E-01 354 0.543E-01 0.734E-01
DAV: 14 -0.383465112254E+03 0.14198E-01 -0.71267E-02 345 0.399E-01 0.450E-01
DAV: 15 -0.383462656350E+03 0.24559E-02 -0.14701E-02 309 0.401E-01 0.371E-01
DAV: 16 -0.383465974481E+03 -0.33181E-02 -0.15958E-02 318 0.258E-01 0.204E-01
DAV: 17 -0.383472699751E+03 -0.67253E-02 -0.31015E-03 291 0.165E-01 0.170E-01
DAV: 18 -0.383481006674E+03 -0.83069E-02 -0.31112E-03 354 0.184E-01 0.128E-01
DAV: 19 -0.383489336552E+03 -0.83299E-02 -0.60656E-03 363 0.185E-01 0.190E-01
DAV: 20 -0.383492839584E+03 -0.35030E-02 -0.15271E-03 309 0.882E-02 0.193E-01
DAV: 21 -0.383493705668E+03 -0.86608E-03 -0.80706E-04 345 0.637E-02 0.130E-01
DAV: 22 -0.383502748292E+03 -0.90426E-02 -0.15794E-03 291 0.890E-02 0.123E-01
DAV: 23 -0.383503860730E+03 -0.11124E-02 -0.20400E-04 327 0.376E-02 0.611E-02
DAV: 24 -0.383507473319E+03 -0.36126E-02 -0.19678E-04 291 0.327E-02 0.312E-02
DAV: 25 -0.383510365359E+03 -0.28920E-02 -0.22668E-04 318 0.310E-02 0.435E-02
DAV: 26 -0.383511690307E+03 -0.13249E-02 -0.67216E-05 318 0.218E-02 0.168E-02
DAV: 27 -0.383512453944E+03 -0.76364E-03 -0.38432E-05 282 0.132E-02 0.158E-02
DAV: 28 -0.383513107604E+03 -0.65366E-03 -0.36528E-05 282 0.120E-02 0.925E-03
DAV: 29 -0.383513340242E+03 -0.23264E-03 -0.99754E-06 237 0.743E-03 0.960E-03
DAV: 30 -0.383513432403E+03 -0.92161E-04 -0.29375E-06 228 0.436E-03 0.641E-03
DAV: 31 -0.383513539238E+03 -0.10684E-03 -0.71600E-06 219 0.587E-03 0.598E-03
DAV: 32 -0.383513601597E+03 -0.62359E-04 -0.24926E-06 219 0.381E-03 0.300E-03
DAV: 33 -0.383513625053E+03 -0.23456E-04 -0.14038E-06 228 0.251E-03 0.167E-03
DAV: 34 -0.383513647530E+03 -0.22476E-04 -0.76585E-07 201 0.193E-03 0.133E-03
DAV: 35 -0.383513658916E+03 -0.11386E-04 -0.51790E-07 228 0.146E-03 0.117E-03
DAV: 36 -0.383513667349E+03 -0.84332E-05 -0.36517E-07 201 0.114E-03
1 F= -.38351367E+03 E0= -.38353032E+03 d E =0.499640E-01