iterations/neb0_image02_iter37_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 0.144806785727E+04 0.14481E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224371257841E+03 -0.12237E+04 -0.11469E+04 435 0.163E+02
DAV: 3 -0.362938087564E+03 -0.58731E+03 -0.58417E+03 345 0.114E+02
DAV: 4 -0.433474567980E+03 -0.70536E+02 -0.70303E+02 309 0.508E+01
DAV: 5 -0.435057942860E+03 -0.15834E+01 -0.15808E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389084825896E+03 0.45973E+02 -0.14807E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385608799576E+03 0.34760E+01 -0.13129E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384144372259E+03 0.14644E+01 -0.21895E+00 327 0.383E+00 0.428E+00
DAV: 9 -0.383566405528E+03 0.57797E+00 -0.62470E-01 336 0.209E+00 0.102E+00
DAV: 10 -0.383518059987E+03 0.48346E-01 -0.21585E-01 318 0.906E-01 0.113E+00
DAV: 11 -0.383499154454E+03 0.18906E-01 -0.29773E-01 336 0.569E-01 0.830E-01
DAV: 12 -0.383479046788E+03 0.20108E-01 -0.91984E-02 327 0.446E-01 0.777E-01
DAV: 13 -0.383464019257E+03 0.15028E-01 -0.79618E-03 327 0.323E-01 0.388E-01
DAV: 14 -0.383450523189E+03 0.13496E-01 -0.21518E-02 309 0.450E-01 0.243E-01
DAV: 15 -0.383454479015E+03 -0.39558E-02 -0.12918E-02 318 0.290E-01 0.229E-01
DAV: 16 -0.383459081669E+03 -0.46027E-02 -0.63612E-03 291 0.169E-01 0.201E-01
DAV: 17 -0.383469123648E+03 -0.10042E-01 -0.48209E-03 300 0.182E-01 0.124E-01
DAV: 18 -0.383481188991E+03 -0.12065E-01 -0.47454E-03 300 0.194E-01 0.891E-02
DAV: 19 -0.383487764520E+03 -0.65755E-02 -0.18080E-03 327 0.118E-01 0.731E-02
DAV: 20 -0.383493295679E+03 -0.55312E-02 -0.32898E-04 327 0.484E-02 0.528E-02
DAV: 21 -0.383499735558E+03 -0.64399E-02 -0.34245E-04 309 0.399E-02 0.289E-02
DAV: 22 -0.383503795940E+03 -0.40604E-02 -0.25846E-04 336 0.373E-02 0.194E-02
DAV: 23 -0.383505884542E+03 -0.20886E-02 -0.69142E-05 309 0.196E-02 0.114E-02
DAV: 24 -0.383508120708E+03 -0.22362E-02 -0.13968E-04 291 0.212E-02 0.161E-02
DAV: 25 -0.383508777013E+03 -0.65631E-03 -0.26538E-05 255 0.105E-02 0.777E-03
DAV: 26 -0.383509017021E+03 -0.24001E-03 -0.74437E-06 237 0.681E-03 0.539E-03
DAV: 27 -0.383509235714E+03 -0.21869E-03 -0.64637E-06 201 0.554E-03 0.332E-03
DAV: 28 -0.383509377977E+03 -0.14226E-03 -0.41267E-06 228 0.440E-03 0.331E-03
DAV: 29 -0.383509447621E+03 -0.69644E-04 -0.30762E-06 219 0.449E-03 0.198E-03
DAV: 30 -0.383509480430E+03 -0.32809E-04 -0.14824E-06 201 0.261E-03 0.149E-03
DAV: 31 -0.383509499935E+03 -0.19505E-04 -0.74492E-07 219 0.174E-03 0.753E-04
DAV: 32 -0.383509515965E+03 -0.16030E-04 -0.69241E-07 192 0.146E-03 0.585E-04
DAV: 33 -0.383509519101E+03 -0.31365E-05 -0.20879E-07 237 0.923E-04
1 F= -.38350952E+03 E0= -.38352608E+03 d E =0.496755E-01