iterations/neb0_image06_iter60_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 0.144422643256E+04 0.14442E+04 -0.44213E+04 330 0.697E+02
DAV: 2 0.235444986736E+03 -0.12088E+04 -0.11318E+04 408 0.163E+02
DAV: 3 -0.366471375789E+03 -0.60192E+03 -0.59825E+03 372 0.116E+02
DAV: 4 -0.432101839815E+03 -0.65630E+02 -0.65374E+02 309 0.472E+01
DAV: 5 -0.433522321980E+03 -0.14205E+01 -0.14183E+01 336 0.726E+00 0.426E+01
DAV: 6 -0.387878269701E+03 0.45644E+02 -0.15132E+02 309 0.288E+01 0.208E+01
DAV: 7 -0.384504240354E+03 0.33740E+01 -0.13114E+01 336 0.774E+00 0.104E+01
DAV: 8 -0.383051879396E+03 0.14524E+01 -0.24230E+00 327 0.391E+00 0.432E+00
DAV: 9 -0.382492232881E+03 0.55965E+00 -0.88480E-01 336 0.221E+00 0.128E+00
DAV: 10 -0.382436680259E+03 0.55553E-01 -0.45587E-01 345 0.113E+00 0.790E-01
DAV: 11 -0.382404551365E+03 0.32129E-01 -0.33187E-02 327 0.470E-01 0.638E-01
DAV: 12 -0.382394087453E+03 0.10464E-01 -0.33469E-01 381 0.695E-01 0.845E-01
DAV: 13 -0.382366752118E+03 0.27335E-01 -0.22588E-02 318 0.441E-01 0.503E-01
DAV: 14 -0.382364981621E+03 0.17705E-02 -0.49477E-02 345 0.417E-01 0.328E-01
DAV: 15 -0.382368630990E+03 -0.36494E-02 -0.12033E-02 363 0.307E-01 0.286E-01
DAV: 16 -0.382376086057E+03 -0.74551E-02 -0.39764E-03 300 0.251E-01 0.292E-01
DAV: 17 -0.382376177588E+03 -0.91531E-04 -0.19156E-03 318 0.128E-01 0.124E-01
DAV: 18 -0.382385085740E+03 -0.89082E-02 -0.28016E-03 291 0.156E-01 0.150E-01
DAV: 19 -0.382391891236E+03 -0.68055E-02 -0.16122E-03 318 0.106E-01 0.699E-02
DAV: 20 -0.382399974818E+03 -0.80836E-02 -0.69441E-04 318 0.776E-02 0.500E-02
DAV: 21 -0.382406786772E+03 -0.68120E-02 -0.57032E-04 327 0.604E-02 0.582E-02
DAV: 22 -0.382410505862E+03 -0.37191E-02 -0.23056E-04 327 0.393E-02 0.209E-02
DAV: 23 -0.382412865010E+03 -0.23591E-02 -0.11084E-04 318 0.209E-02 0.164E-02
DAV: 24 -0.382414833693E+03 -0.19687E-02 -0.10405E-04 300 0.177E-02 0.188E-02
DAV: 25 -0.382415792050E+03 -0.95836E-03 -0.43067E-05 300 0.131E-02 0.785E-03
DAV: 26 -0.382416499709E+03 -0.70766E-03 -0.24865E-05 273 0.872E-03 0.564E-03
DAV: 27 -0.382416847939E+03 -0.34823E-03 -0.12663E-05 237 0.773E-03 0.342E-03
DAV: 28 -0.382416983188E+03 -0.13525E-03 -0.40648E-06 228 0.428E-03 0.331E-03
DAV: 29 -0.382417069704E+03 -0.86517E-04 -0.45929E-06 201 0.551E-03 0.340E-03
DAV: 30 -0.382417112465E+03 -0.42760E-04 -0.21389E-06 219 0.321E-03 0.283E-03
DAV: 31 -0.382417127093E+03 -0.14628E-04 -0.10792E-06 219 0.227E-03 0.114E-03
DAV: 32 -0.382417136468E+03 -0.93757E-05 -0.64334E-07 219 0.198E-03
1 F= -.38241714E+03 E0= -.38243404E+03 d E =0.507055E-01