./iterations/neb0_image01_iter26_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 0.144722488993E+04 0.14472E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224129057433E+03 -0.12231E+04 -0.11460E+04 435 0.163E+02
DAV: 3 -0.363085514907E+03 -0.58721E+03 -0.58378E+03 345 0.114E+02
DAV: 4 -0.433514668461E+03 -0.70429E+02 -0.70154E+02 318 0.508E+01
DAV: 5 -0.435086976945E+03 -0.15723E+01 -0.15698E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389102476289E+03 0.45985E+02 -0.14807E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385630569558E+03 0.34719E+01 -0.13567E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384152840306E+03 0.14777E+01 -0.21272E+00 327 0.383E+00 0.433E+00
DAV: 9 -0.383610732893E+03 0.54211E+00 -0.17461E+00 336 0.243E+00 0.137E+00
DAV: 10 -0.383539044505E+03 0.71688E-01 -0.26564E-01 318 0.113E+00 0.104E+00
DAV: 11 -0.383519795151E+03 0.19249E-01 -0.29075E-01 354 0.645E-01 0.993E-01
DAV: 12 -0.383493809876E+03 0.25985E-01 -0.23268E-01 327 0.703E-01 0.934E-01
DAV: 13 -0.383476638723E+03 0.17171E-01 -0.17992E-01 363 0.548E-01 0.665E-01
DAV: 14 -0.383464654488E+03 0.11984E-01 -0.19878E-02 354 0.379E-01 0.322E-01
DAV: 15 -0.383461988554E+03 0.26659E-02 -0.13466E-02 309 0.384E-01 0.188E-01
DAV: 16 -0.383467990906E+03 -0.60024E-02 -0.61053E-03 327 0.246E-01 0.195E-01
DAV: 17 -0.383475990963E+03 -0.80001E-02 -0.29191E-03 300 0.185E-01 0.167E-01
DAV: 18 -0.383482281783E+03 -0.62908E-02 -0.28031E-03 354 0.160E-01 0.122E-01
DAV: 19 -0.383491252041E+03 -0.89703E-02 -0.42819E-03 372 0.156E-01 0.168E-01
DAV: 20 -0.383490798781E+03 0.45326E-03 -0.30206E-03 327 0.827E-02 0.878E-02
DAV: 21 -0.383497293760E+03 -0.64950E-02 -0.64843E-04 300 0.701E-02 0.932E-02
DAV: 22 -0.383501880085E+03 -0.45863E-02 -0.57600E-04 327 0.563E-02 0.409E-02
DAV: 23 -0.383505861176E+03 -0.39811E-02 -0.24031E-04 318 0.443E-02 0.497E-02
DAV: 24 -0.383509388827E+03 -0.35277E-02 -0.19432E-04 309 0.339E-02 0.393E-02
DAV: 25 -0.383511176621E+03 -0.17878E-02 -0.93132E-05 327 0.216E-02 0.269E-02
DAV: 26 -0.383511991112E+03 -0.81449E-03 -0.54218E-05 327 0.169E-02 0.120E-02
DAV: 27 -0.383513050571E+03 -0.10595E-02 -0.55709E-05 300 0.144E-02 0.150E-02
DAV: 28 -0.383513642014E+03 -0.59144E-03 -0.27056E-05 264 0.108E-02 0.112E-02
DAV: 29 -0.383513821962E+03 -0.17995E-03 -0.10175E-05 255 0.746E-03 0.393E-03
DAV: 30 -0.383513944172E+03 -0.12221E-03 -0.44942E-06 192 0.485E-03 0.218E-03
DAV: 31 -0.383514047252E+03 -0.10308E-03 -0.36491E-06 219 0.376E-03 0.244E-03
DAV: 32 -0.383514080827E+03 -0.33575E-04 -0.15596E-06 228 0.268E-03 0.178E-03
DAV: 33 -0.383514108092E+03 -0.27264E-04 -0.13240E-06 210 0.233E-03 0.275E-03
DAV: 34 -0.383514120240E+03 -0.12149E-04 -0.77514E-07 228 0.199E-03 0.129E-03
DAV: 35 -0.383514126901E+03 -0.66609E-05 -0.47736E-07 219 0.133E-03
1 F= -.38351413E+03 E0= -.38353079E+03 d E =0.499924E-01