./iterations/neb0_image05_iter1_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145014338189E+04 0.14501E+04 -0.44207E+04 330 0.697E+02
DAV: 2 0.232730370460E+03 -0.12174E+04 -0.11428E+04 417 0.163E+02
DAV: 3 -0.364682402457E+03 -0.59741E+03 -0.59411E+03 354 0.114E+02
DAV: 4 -0.433196084040E+03 -0.68514E+02 -0.68276E+02 309 0.495E+01
DAV: 5 -0.434702898735E+03 -0.15068E+01 -0.15040E+01 327 0.764E+00 0.426E+01
DAV: 6 -0.388905829316E+03 0.45797E+02 -0.14794E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385481136382E+03 0.34247E+01 -0.13456E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384026666524E+03 0.14545E+01 -0.23451E+00 336 0.388E+00 0.435E+00
DAV: 9 -0.383481777821E+03 0.54489E+00 -0.15077E+00 327 0.241E+00 0.127E+00
DAV: 10 -0.383401058031E+03 0.80720E-01 -0.15758E-01 336 0.113E+00 0.954E-01
DAV: 11 -0.383381346531E+03 0.19712E-01 -0.18210E-01 336 0.936E-01 0.872E-01
DAV: 12 -0.383357760935E+03 0.23586E-01 -0.17310E-01 327 0.636E-01 0.784E-01
DAV: 13 -0.383348814092E+03 0.89468E-02 -0.28477E-02 327 0.309E-01 0.430E-01
DAV: 14 -0.383334503378E+03 0.14311E-01 -0.21070E-02 318 0.422E-01 0.273E-01
DAV: 15 -0.383332581296E+03 0.19221E-02 -0.10792E-02 327 0.343E-01 0.276E-01
DAV: 16 -0.383341282103E+03 -0.87008E-02 -0.10656E-02 282 0.336E-01 0.153E-01
DAV: 17 -0.383349081919E+03 -0.77998E-02 -0.49311E-03 327 0.196E-01 0.221E-01
DAV: 18 -0.383355257626E+03 -0.61757E-02 -0.25761E-03 300 0.109E-01 0.109E-01
DAV: 19 -0.383363220805E+03 -0.79632E-02 -0.12090E-03 300 0.948E-02 0.777E-02
DAV: 20 -0.383370401224E+03 -0.71804E-02 -0.92423E-04 354 0.895E-02 0.647E-02
DAV: 21 -0.383374236321E+03 -0.38351E-02 -0.42129E-04 381 0.605E-02 0.473E-02
DAV: 22 -0.383375608869E+03 -0.13725E-02 -0.10922E-04 345 0.296E-02 0.469E-02
DAV: 23 -0.383375130827E+03 0.47804E-03 -0.26353E-05 309 0.157E-02 0.466E-02
DAV: 24 -0.383375393164E+03 -0.26234E-03 -0.72847E-05 309 0.235E-02 0.408E-02
DAV: 25 -0.383378336366E+03 -0.29432E-02 -0.33813E-04 363 0.536E-02 0.256E-02
DAV: 26 -0.383381398208E+03 -0.30618E-02 -0.40301E-04 345 0.529E-02 0.223E-02
DAV: 27 -0.383382709306E+03 -0.13111E-02 -0.17284E-04 372 0.341E-02 0.302E-02
DAV: 28 -0.383383079094E+03 -0.36979E-03 -0.19476E-05 318 0.157E-02 0.280E-02
DAV: 29 -0.383384310730E+03 -0.12316E-02 -0.89111E-05 291 0.382E-02 0.263E-02
DAV: 30 -0.383385193216E+03 -0.88249E-03 -0.20176E-04 372 0.408E-02 0.181E-02
DAV: 31 -0.383385422590E+03 -0.22937E-03 -0.10003E-04 345 0.243E-02 0.228E-02
DAV: 32 -0.383385416010E+03 0.65802E-05 -0.13076E-05 264 0.666E-03
1 F= -.38338542E+03 E0= -.38339891E+03 d E =0.404952E-01