iterations/neb0_image04_iter12_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161906310859E+04 0.16191E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.298052566904E+03 -0.13210E+04 -0.12420E+04 420 0.168E+02
DAV: 3 -0.354128526440E+03 -0.65218E+03 -0.64861E+03 356 0.123E+02
DAV: 4 -0.433271101618E+03 -0.79143E+02 -0.78802E+02 316 0.540E+01
DAV: 5 -0.435115821213E+03 -0.18447E+01 -0.18425E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389062625858E+03 0.46053E+02 -0.15049E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385570393179E+03 0.34922E+01 -0.12623E+01 340 0.770E+00 0.104E+01
DAV: 8 -0.384140173786E+03 0.14302E+01 -0.26501E+00 332 0.390E+00 0.430E+00
DAV: 9 -0.383565647028E+03 0.57453E+00 -0.61728E-01 324 0.195E+00 0.105E+00
DAV: 10 -0.383515299201E+03 0.50348E-01 -0.35895E-01 340 0.114E+00 0.115E+00
DAV: 11 -0.383494163329E+03 0.21136E-01 -0.21793E-01 316 0.552E-01 0.734E-01
DAV: 12 -0.383482555357E+03 0.11608E-01 -0.35008E-02 316 0.347E-01 0.544E-01
DAV: 13 -0.383471234114E+03 0.11321E-01 -0.13880E-01 316 0.505E-01 0.713E-01
DAV: 14 -0.383462182380E+03 0.90517E-02 -0.55561E-02 324 0.302E-01 0.323E-01
DAV: 15 -0.383464160900E+03 -0.19785E-02 -0.81031E-03 300 0.265E-01 0.197E-01
DAV: 16 -0.383473206567E+03 -0.90457E-02 -0.41160E-03 324 0.188E-01 0.149E-01
DAV: 17 -0.383488324125E+03 -0.15118E-01 -0.49331E-03 276 0.168E-01 0.119E-01
DAV: 18 -0.383496849184E+03 -0.85251E-02 -0.29689E-03 316 0.144E-01 0.810E-02
DAV: 19 -0.383501746023E+03 -0.48968E-02 -0.64357E-04 332 0.700E-02 0.835E-02
DAV: 20 -0.383506178595E+03 -0.44326E-02 -0.35619E-04 316 0.506E-02 0.652E-02
DAV: 21 -0.383510001232E+03 -0.38226E-02 -0.38458E-04 372 0.580E-02 0.640E-02
DAV: 22 -0.383509713394E+03 0.28784E-03 -0.15644E-04 316 0.343E-02 0.577E-02
DAV: 23 -0.383510579488E+03 -0.86609E-03 -0.15007E-04 332 0.266E-02 0.499E-02
DAV: 24 -0.383513737858E+03 -0.31584E-02 -0.48990E-04 380 0.700E-02 0.295E-02
DAV: 25 -0.383516321101E+03 -0.25832E-02 -0.54585E-04 332 0.546E-02 0.328E-02
DAV: 26 -0.383517608118E+03 -0.12870E-02 -0.11720E-04 340 0.303E-02 0.377E-02
DAV: 27 -0.383518118558E+03 -0.51044E-03 -0.30196E-05 292 0.155E-02 0.337E-02
DAV: 28 -0.383520356635E+03 -0.22381E-02 -0.15051E-04 276 0.465E-02 0.150E-02
DAV: 29 -0.383521714196E+03 -0.13576E-02 -0.19832E-04 308 0.297E-02 0.127E-02
DAV: 30 -0.383521866963E+03 -0.15277E-03 -0.21445E-05 292 0.127E-02 0.765E-03
DAV: 31 -0.383522059644E+03 -0.19268E-03 -0.10286E-05 228 0.787E-03 0.414E-03
DAV: 32 -0.383522209822E+03 -0.15018E-03 -0.95370E-06 236 0.851E-03 0.387E-03
DAV: 33 -0.383522318694E+03 -0.10887E-03 -0.14970E-05 236 0.121E-02 0.421E-03
DAV: 34 -0.383522347682E+03 -0.28988E-04 -0.11182E-05 260 0.880E-03 0.521E-03
DAV: 35 -0.383522368915E+03 -0.21234E-04 -0.34699E-06 204 0.642E-03 0.400E-03
DAV: 36 -0.383522389463E+03 -0.20547E-04 -0.41705E-06 220 0.634E-03 0.259E-03
DAV: 37 -0.383522408985E+03 -0.19522E-04 -0.29644E-06 212 0.668E-03 0.956E-04
DAV: 38 -0.383522426740E+03 -0.17755E-04 -0.30681E-06 220 0.406E-03 0.944E-04
DAV: 39 -0.383522432900E+03 -0.61608E-05 -0.79649E-07 228 0.214E-03
1 F= -.38352243E+03 E0= -.38353692E+03 d E =0.434699E-01