iterations/neb0_image03_iter18_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 0.161854769713E+04 0.16185E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297661784273E+03 -0.13209E+04 -0.12436E+04 420 0.168E+02
DAV: 3 -0.357352170549E+03 -0.65501E+03 -0.65141E+03 364 0.123E+02
DAV: 4 -0.433429988923E+03 -0.76078E+02 -0.75759E+02 316 0.521E+01
DAV: 5 -0.435159032519E+03 -0.17290E+01 -0.17263E+01 324 0.800E+00 0.427E+01
DAV: 6 -0.389106629433E+03 0.46052E+02 -0.15037E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385595005855E+03 0.35116E+01 -0.12404E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384154405489E+03 0.14406E+01 -0.25772E+00 332 0.386E+00 0.432E+00
DAV: 9 -0.383590450817E+03 0.56395E+00 -0.73504E-01 324 0.198E+00 0.119E+00
DAV: 10 -0.383542548823E+03 0.47902E-01 -0.57477E-01 348 0.109E+00 0.799E-01
DAV: 11 -0.383516677316E+03 0.25872E-01 -0.32352E-02 324 0.491E-01 0.653E-01
DAV: 12 -0.383492613494E+03 0.24064E-01 -0.11327E-01 356 0.661E-01 0.752E-01
DAV: 13 -0.383486228727E+03 0.63848E-02 -0.87616E-02 348 0.422E-01 0.643E-01
DAV: 14 -0.383480668576E+03 0.55602E-02 -0.70079E-02 316 0.346E-01 0.299E-01
DAV: 15 -0.383483201241E+03 -0.25327E-02 -0.10543E-02 316 0.233E-01 0.316E-01
DAV: 16 -0.383492540793E+03 -0.93396E-02 -0.22234E-02 316 0.270E-01 0.197E-01
DAV: 17 -0.383502902523E+03 -0.10362E-01 -0.38011E-03 316 0.189E-01 0.160E-01
DAV: 18 -0.383510235909E+03 -0.73334E-02 -0.12043E-03 292 0.964E-02 0.724E-02
DAV: 19 -0.383520671658E+03 -0.10436E-01 -0.15987E-03 292 0.862E-02 0.943E-02
DAV: 20 -0.383526138118E+03 -0.54665E-02 -0.46689E-04 316 0.607E-02 0.739E-02
DAV: 21 -0.383530016964E+03 -0.38788E-02 -0.28851E-04 348 0.541E-02 0.241E-02
DAV: 22 -0.383535269955E+03 -0.52530E-02 -0.42003E-04 316 0.408E-02 0.366E-02
DAV: 23 -0.383536598812E+03 -0.13289E-02 -0.68792E-05 316 0.205E-02 0.140E-02
DAV: 24 -0.383538365203E+03 -0.17664E-02 -0.14277E-04 300 0.274E-02 0.129E-02
DAV: 25 -0.383538865564E+03 -0.50036E-03 -0.16254E-05 236 0.113E-02 0.930E-03
DAV: 26 -0.383539192924E+03 -0.32736E-03 -0.18760E-05 244 0.864E-03 0.562E-03
DAV: 27 -0.383539498941E+03 -0.30602E-03 -0.10271E-05 212 0.733E-03 0.261E-03
DAV: 28 -0.383539602425E+03 -0.10348E-03 -0.46511E-06 228 0.395E-03 0.279E-03
DAV: 29 -0.383539668959E+03 -0.66534E-04 -0.24473E-06 204 0.375E-03 0.126E-03
DAV: 30 -0.383539720614E+03 -0.51655E-04 -0.42246E-06 212 0.492E-03 0.345E-03
DAV: 31 -0.383539734617E+03 -0.14003E-04 -0.10398E-06 228 0.258E-03 0.243E-03
DAV: 32 -0.383539741033E+03 -0.64164E-05 -0.80806E-07 220 0.238E-03
1 F= -.38353974E+03 E0= -.38355290E+03 d E =0.394750E-01