iterations/neb0_image04_iter6_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 0.144964005992E+04 0.14496E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.225443550547E+03 -0.12242E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362318643075E+03 -0.58776E+03 -0.58443E+03 345 0.114E+02
DAV: 4 -0.433301426715E+03 -0.70983E+02 -0.70722E+02 318 0.509E+01
DAV: 5 -0.434889742815E+03 -0.15883E+01 -0.15859E+01 318 0.785E+00 0.426E+01
DAV: 6 -0.389016559554E+03 0.45873E+02 -0.14758E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385566252197E+03 0.34503E+01 -0.13514E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384105502967E+03 0.14607E+01 -0.22199E+00 327 0.386E+00 0.435E+00
DAV: 9 -0.383564938871E+03 0.54056E+00 -0.16423E+00 327 0.243E+00 0.131E+00
DAV: 10 -0.383486342094E+03 0.78597E-01 -0.18080E-01 327 0.113E+00 0.926E-01
DAV: 11 -0.383455990131E+03 0.30352E-01 -0.11758E-01 345 0.708E-01 0.713E-01
DAV: 12 -0.383443133364E+03 0.12857E-01 -0.12950E-01 354 0.600E-01 0.754E-01
DAV: 13 -0.383430326032E+03 0.12807E-01 -0.11268E-01 372 0.476E-01 0.733E-01
DAV: 14 -0.383420630977E+03 0.96951E-02 -0.10704E-01 354 0.411E-01 0.477E-01
DAV: 15 -0.383417562821E+03 0.30682E-02 -0.46430E-02 309 0.408E-01 0.507E-01
DAV: 16 -0.383418393523E+03 -0.83070E-03 -0.53020E-02 318 0.312E-01 0.254E-01
DAV: 17 -0.383423499055E+03 -0.51055E-02 -0.39279E-03 282 0.168E-01 0.138E-01
DAV: 18 -0.383435398268E+03 -0.11899E-01 -0.45575E-03 363 0.243E-01 0.247E-01
DAV: 19 -0.383443945324E+03 -0.85471E-02 -0.69261E-03 345 0.216E-01 0.243E-01
DAV: 20 -0.383445196178E+03 -0.12509E-02 -0.13543E-03 318 0.901E-02 0.169E-01
DAV: 21 -0.383448729391E+03 -0.35332E-02 -0.48702E-04 300 0.485E-02 0.143E-01
DAV: 22 -0.383453686050E+03 -0.49567E-02 -0.10604E-03 372 0.633E-02 0.472E-02
DAV: 23 -0.383458347586E+03 -0.46615E-02 -0.48213E-04 309 0.444E-02 0.574E-02
DAV: 24 -0.383461700075E+03 -0.33525E-02 -0.21192E-04 309 0.279E-02 0.290E-02
DAV: 25 -0.383463612877E+03 -0.19128E-02 -0.13592E-04 327 0.234E-02 0.287E-02
DAV: 26 -0.383464666020E+03 -0.10531E-02 -0.80757E-05 318 0.180E-02 0.293E-02
DAV: 27 -0.383465205284E+03 -0.53926E-03 -0.19783E-05 237 0.958E-03 0.188E-02
DAV: 28 -0.383465811382E+03 -0.60610E-03 -0.47422E-05 300 0.111E-02 0.148E-02
DAV: 29 -0.383465968382E+03 -0.15700E-03 -0.66831E-06 237 0.681E-03 0.713E-03
DAV: 30 -0.383466129251E+03 -0.16087E-03 -0.12281E-05 228 0.657E-03 0.484E-03
DAV: 31 -0.383466171194E+03 -0.41942E-04 -0.17143E-06 237 0.375E-03 0.440E-03
DAV: 32 -0.383466248197E+03 -0.77003E-04 -0.26691E-06 210 0.344E-03 0.469E-03
DAV: 33 -0.383466280314E+03 -0.32118E-04 -0.12893E-06 228 0.221E-03 0.283E-03
DAV: 34 -0.383466296910E+03 -0.16596E-04 -0.63678E-07 228 0.164E-03 0.112E-03
DAV: 35 -0.383466314495E+03 -0.17585E-04 -0.92714E-07 201 0.160E-03 0.114E-03
DAV: 36 -0.383466317308E+03 -0.28136E-05 -0.28197E-07 228 0.121E-03
1 F= -.38346632E+03 E0= -.38348309E+03 d E =0.503226E-01