iterations/neb0_image01_iter64_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 0.144723531468E+04 0.14472E+04 -0.44190E+04 330 0.697E+02
DAV: 2 0.223983310497E+03 -0.12233E+04 -0.11462E+04 435 0.163E+02
DAV: 3 -0.363146587974E+03 -0.58713E+03 -0.58376E+03 345 0.114E+02
DAV: 4 -0.433510043265E+03 -0.70363E+02 -0.70092E+02 318 0.508E+01
DAV: 5 -0.435083600525E+03 -0.15736E+01 -0.15711E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389098555748E+03 0.45985E+02 -0.14824E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385624114480E+03 0.34744E+01 -0.13291E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384153474948E+03 0.14706E+01 -0.22332E+00 336 0.385E+00 0.432E+00
DAV: 9 -0.383605944850E+03 0.54753E+00 -0.15545E+00 345 0.238E+00 0.126E+00
DAV: 10 -0.383527889014E+03 0.78056E-01 -0.14988E-01 318 0.107E+00 0.948E-01
DAV: 11 -0.383504512145E+03 0.23377E-01 -0.17473E-01 336 0.867E-01 0.853E-01
DAV: 12 -0.383483202944E+03 0.21309E-01 -0.17294E-01 336 0.606E-01 0.703E-01
DAV: 13 -0.383478116187E+03 0.50868E-02 -0.78593E-02 345 0.329E-01 0.639E-01
DAV: 14 -0.383463637426E+03 0.14479E-01 -0.85393E-02 318 0.446E-01 0.446E-01
DAV: 15 -0.383459095564E+03 0.45419E-02 -0.12594E-02 318 0.351E-01 0.279E-01
DAV: 16 -0.383467808341E+03 -0.87128E-02 -0.77446E-03 291 0.283E-01 0.146E-01
DAV: 17 -0.383481201667E+03 -0.13393E-01 -0.68401E-03 309 0.219E-01 0.281E-01
DAV: 18 -0.383489578318E+03 -0.83767E-02 -0.50260E-03 345 0.149E-01 0.102E-01
DAV: 19 -0.383493456185E+03 -0.38779E-02 -0.82113E-04 318 0.790E-02 0.861E-02
DAV: 20 -0.383497684711E+03 -0.42285E-02 -0.47575E-04 363 0.636E-02 0.893E-02
DAV: 21 -0.383497688067E+03 -0.33558E-05 -0.15806E-04 327 0.232E-02 0.890E-02
DAV: 22 -0.383497747756E+03 -0.59689E-04 -0.34214E-06 219 0.461E-03 0.904E-02
DAV: 23 -0.383498841611E+03 -0.10939E-02 -0.15550E-04 291 0.303E-02 0.102E-01
DAV: 24 -0.383499485061E+03 -0.64345E-03 -0.12373E-04 318 0.232E-02 0.145E-01
DAV: 25 -0.383501311903E+03 -0.18268E-02 -0.42844E-04 300 0.482E-02 0.252E-01
DAV: 26 -0.383507029425E+03 -0.57175E-02 -0.43305E-03 291 0.128E-01 0.665E-01
DAV: 27 -0.383512462294E+03 -0.54329E-02 -0.32364E-03 318 0.119E-01 0.100E+00
DAV: 28 -0.383512453723E+03 0.85704E-05 -0.90344E-04 318 0.784E-02 0.916E-01
DAV: 29 -0.383510751578E+03 0.17021E-02 -0.14167E-03 291 0.734E-02 0.705E-01
DAV: 30 -0.383512706633E+03 -0.19551E-02 -0.29303E-04 300 0.454E-02 0.791E-01
DAV: 31 -0.383513628109E+03 -0.92148E-03 -0.13876E-04 345 0.241E-02 0.812E-01
DAV: 32 -0.383512053629E+03 0.15745E-02 -0.14639E-03 291 0.678E-02 0.580E-01
DAV: 33 -0.383512463468E+03 -0.40984E-03 -0.16776E-04 318 0.309E-02 0.547E-01
DAV: 34 -0.383512014176E+03 0.44929E-03 -0.67642E-04 318 0.462E-02 0.399E-01
DAV: 35 -0.383511957717E+03 0.56459E-04 -0.32412E-04 318 0.311E-02 0.290E-01
DAV: 36 -0.383511921277E+03 0.36440E-04 -0.64305E-04 309 0.452E-02 0.134E-01
DAV: 37 -0.383512062370E+03 -0.14109E-03 -0.13405E-04 327 0.213E-02 0.729E-02
DAV: 38 -0.383512139046E+03 -0.76677E-04 -0.10412E-05 273 0.723E-03 0.847E-02
DAV: 39 -0.383512176715E+03 -0.37669E-04 -0.26442E-06 219 0.411E-03 0.859E-02
DAV: 40 -0.383512221463E+03 -0.44747E-04 -0.62438E-06 237 0.464E-03 0.725E-02
DAV: 41 -0.383512233397E+03 -0.11934E-04 -0.96147E-07 228 0.247E-03 0.719E-02
DAV: 42 -0.383512249997E+03 -0.16600E-04 -0.35827E-06 201 0.353E-03 0.644E-02
DAV: 43 -0.383512247964E+03 0.20332E-05 -0.78190E-06 246 0.554E-03
1 F= -.38351225E+03 E0= -.38352888E+03 d E =0.498975E-01