iterations/neb0_image05_iter51_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 0.144931361890E+04 0.14493E+04 -0.44221E+04 330 0.697E+02
DAV: 2 0.231053968385E+03 -0.12183E+04 -0.11414E+04 417 0.163E+02
DAV: 3 -0.361780011888E+03 -0.59283E+03 -0.58962E+03 345 0.115E+02
DAV: 4 -0.433207654097E+03 -0.71428E+02 -0.71178E+02 309 0.514E+01
DAV: 5 -0.434860457979E+03 -0.16528E+01 -0.16499E+01 336 0.797E+00 0.426E+01
DAV: 6 -0.388891633931E+03 0.45969E+02 -0.14786E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385427145325E+03 0.34645E+01 -0.13301E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.383961921698E+03 0.14652E+01 -0.18418E+00 327 0.379E+00 0.432E+00
DAV: 9 -0.383429937598E+03 0.53198E+00 -0.15278E+00 336 0.215E+00 0.107E+00
DAV: 10 -0.383360893331E+03 0.69044E-01 -0.11127E-01 336 0.941E-01 0.863E-01
DAV: 11 -0.383316623307E+03 0.44270E-01 -0.10558E-01 327 0.785E-01 0.686E-01
DAV: 12 -0.383298001168E+03 0.18622E-01 -0.74352E-02 318 0.519E-01 0.554E-01
DAV: 13 -0.383287988353E+03 0.10013E-01 -0.43819E-02 327 0.443E-01 0.749E-01
DAV: 14 -0.383278205198E+03 0.97832E-02 -0.28080E-02 327 0.375E-01 0.338E-01
DAV: 15 -0.383280845685E+03 -0.26405E-02 -0.71476E-03 327 0.215E-01 0.376E-01
DAV: 16 -0.383287218776E+03 -0.63731E-02 -0.17537E-02 291 0.224E-01 0.132E-01
DAV: 17 -0.383297530536E+03 -0.10312E-01 -0.29585E-03 327 0.160E-01 0.104E-01
DAV: 18 -0.383306818211E+03 -0.92877E-02 -0.17731E-03 309 0.125E-01 0.617E-02
DAV: 19 -0.383314625235E+03 -0.78070E-02 -0.11628E-03 336 0.993E-02 0.651E-02
DAV: 20 -0.383319087838E+03 -0.44626E-02 -0.30640E-04 318 0.545E-02 0.380E-02
DAV: 21 -0.383323190256E+03 -0.41024E-02 -0.19156E-04 318 0.332E-02 0.561E-02
DAV: 22 -0.383327769220E+03 -0.45790E-02 -0.40450E-04 309 0.386E-02 0.227E-02
DAV: 23 -0.383330470892E+03 -0.27017E-02 -0.17490E-04 318 0.281E-02 0.270E-02
DAV: 24 -0.383331024469E+03 -0.55358E-03 -0.30501E-05 282 0.132E-02 0.132E-02
DAV: 25 -0.383331926553E+03 -0.90208E-03 -0.39499E-05 273 0.113E-02 0.560E-03
DAV: 26 -0.383332410581E+03 -0.48403E-03 -0.13907E-05 237 0.702E-03 0.504E-03
DAV: 27 -0.383332704628E+03 -0.29405E-03 -0.11089E-05 228 0.636E-03 0.365E-03
DAV: 28 -0.383332803105E+03 -0.98477E-04 -0.38320E-06 228 0.440E-03 0.244E-03
DAV: 29 -0.383332851094E+03 -0.47989E-04 -0.17136E-06 219 0.297E-03 0.168E-03
DAV: 30 -0.383332899131E+03 -0.48037E-04 -0.16623E-06 210 0.253E-03 0.190E-03
DAV: 31 -0.383332912122E+03 -0.12991E-04 -0.61657E-07 228 0.166E-03 0.965E-04
DAV: 32 -0.383332922531E+03 -0.10408E-04 -0.45193E-07 219 0.138E-03 0.679E-04
DAV: 33 -0.383332932075E+03 -0.95444E-05 -0.31763E-07 201 0.100E-03
1 F= -.38333293E+03 E0= -.38334985E+03 d E =0.507600E-01