iterations/neb0_image01_iter24_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161672530695E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296175425296E+03 -0.13205E+04 -0.12434E+04 420 0.168E+02
DAV: 3 -0.358074869254E+03 -0.65425E+03 -0.65069E+03 364 0.123E+02
DAV: 4 -0.433520703967E+03 -0.75446E+02 -0.75143E+02 308 0.519E+01
DAV: 5 -0.435231882035E+03 -0.17112E+01 -0.17083E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389147448271E+03 0.46084E+02 -0.15047E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385621581492E+03 0.35259E+01 -0.12442E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384176874812E+03 0.14447E+01 -0.27657E+00 332 0.387E+00 0.434E+00
DAV: 9 -0.383611484971E+03 0.56539E+00 -0.90268E-01 324 0.205E+00 0.117E+00
DAV: 10 -0.383543101827E+03 0.68383E-01 -0.30310E-01 340 0.102E+00 0.887E-01
DAV: 11 -0.383512903923E+03 0.30198E-01 -0.44372E-02 308 0.521E-01 0.566E-01
DAV: 12 -0.383491398383E+03 0.21506E-01 -0.35238E-02 316 0.490E-01 0.384E-01
DAV: 13 -0.383485970621E+03 0.54278E-02 -0.17237E-02 316 0.357E-01 0.406E-01
DAV: 14 -0.383488866679E+03 -0.28961E-02 -0.51372E-02 324 0.352E-01 0.514E-01
DAV: 15 -0.383490877437E+03 -0.20108E-02 -0.32347E-02 292 0.256E-01 0.399E-01
DAV: 16 -0.383494341370E+03 -0.34639E-02 -0.14124E-02 348 0.196E-01 0.217E-01
DAV: 17 -0.383501144428E+03 -0.68031E-02 -0.30380E-03 284 0.109E-01 0.112E-01
DAV: 18 -0.383511300142E+03 -0.10156E-01 -0.40777E-03 284 0.128E-01 0.863E-02
DAV: 19 -0.383519672754E+03 -0.83726E-02 -0.15630E-03 324 0.882E-02 0.607E-02
DAV: 20 -0.383527915645E+03 -0.82429E-02 -0.69497E-04 300 0.682E-02 0.930E-02
DAV: 21 -0.383535626545E+03 -0.77109E-02 -0.87834E-04 324 0.616E-02 0.432E-02
DAV: 22 -0.383538572930E+03 -0.29464E-02 -0.16474E-04 300 0.320E-02 0.275E-02
DAV: 23 -0.383541066713E+03 -0.24938E-02 -0.14086E-04 308 0.252E-02 0.160E-02
DAV: 24 -0.383543143249E+03 -0.20765E-02 -0.98668E-05 300 0.195E-02 0.211E-02
DAV: 25 -0.383544072522E+03 -0.92927E-03 -0.48699E-05 292 0.140E-02 0.536E-03
DAV: 26 -0.383544599469E+03 -0.52695E-03 -0.18926E-05 236 0.838E-03 0.289E-03
DAV: 27 -0.383544803436E+03 -0.20397E-03 -0.79430E-06 228 0.534E-03 0.249E-03
DAV: 28 -0.383544938146E+03 -0.13471E-03 -0.43453E-06 220 0.367E-03 0.170E-03
DAV: 29 -0.383545006256E+03 -0.68111E-04 -0.29594E-06 228 0.328E-03 0.875E-04
DAV: 30 -0.383545038204E+03 -0.31948E-04 -0.14109E-06 204 0.218E-03 0.828E-04
DAV: 31 -0.383545051454E+03 -0.13250E-04 -0.69518E-07 228 0.159E-03 0.874E-04
DAV: 32 -0.383545059464E+03 -0.80100E-05 -0.38412E-07 212 0.122E-03
1 F= -.38354506E+03 E0= -.38356224E+03 d E =0.515341E-01