./iterations/neb0_image08_iter24_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145190468352E+04 0.14519E+04 -0.44251E+04 330 0.697E+02
DAV: 2 0.229438121750E+03 -0.12225E+04 -0.11470E+04 426 0.163E+02
DAV: 3 -0.360538300748E+03 -0.58998E+03 -0.58642E+03 345 0.114E+02
DAV: 4 -0.432781546414E+03 -0.72243E+02 -0.71959E+02 318 0.512E+01
DAV: 5 -0.434426575125E+03 -0.16450E+01 -0.16423E+01 318 0.797E+00 0.427E+01
DAV: 6 -0.388646048468E+03 0.45781E+02 -0.14750E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385196803970E+03 0.34492E+01 -0.13075E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.383732690596E+03 0.14641E+01 -0.18271E+00 345 0.380E+00 0.430E+00
DAV: 9 -0.383209959368E+03 0.52273E+00 -0.15474E+00 336 0.227E+00 0.113E+00
DAV: 10 -0.383139593778E+03 0.70366E-01 -0.17453E-01 336 0.102E+00 0.950E-01
DAV: 11 -0.383114619750E+03 0.24974E-01 -0.12551E-01 327 0.600E-01 0.850E-01
DAV: 12 -0.383091325012E+03 0.23295E-01 -0.11796E-01 381 0.657E-01 0.106E+00
DAV: 13 -0.383072735404E+03 0.18590E-01 -0.26596E-01 363 0.573E-01 0.506E-01
DAV: 14 -0.383060059470E+03 0.12676E-01 -0.17907E-02 309 0.415E-01 0.334E-01
DAV: 15 -0.383060546473E+03 -0.48700E-03 -0.35101E-02 327 0.327E-01 0.566E-01
DAV: 16 -0.383060074630E+03 0.47184E-03 -0.14620E-02 300 0.247E-01 0.241E-01
DAV: 17 -0.383071967596E+03 -0.11893E-01 -0.74257E-03 300 0.253E-01 0.925E-02
DAV: 18 -0.383082982098E+03 -0.11015E-01 -0.31016E-03 309 0.189E-01 0.123E-01
DAV: 19 -0.383089956719E+03 -0.69746E-02 -0.94942E-04 345 0.892E-02 0.127E-01
DAV: 20 -0.383097224532E+03 -0.72678E-02 -0.36795E-04 300 0.472E-02 0.853E-02
DAV: 21 -0.383103541938E+03 -0.63174E-02 -0.10020E-03 363 0.621E-02 0.560E-02
DAV: 22 -0.383106337860E+03 -0.27959E-02 -0.34354E-04 318 0.384E-02 0.313E-02
DAV: 23 -0.383107641955E+03 -0.13041E-02 -0.67705E-05 300 0.191E-02 0.279E-02
DAV: 24 -0.383108751936E+03 -0.11100E-02 -0.42740E-05 282 0.130E-02 0.140E-02
DAV: 25 -0.383110248860E+03 -0.14969E-02 -0.76802E-05 291 0.154E-02 0.720E-03
DAV: 26 -0.383110583868E+03 -0.33501E-03 -0.10470E-05 246 0.723E-03 0.894E-03
DAV: 27 -0.383110927711E+03 -0.34384E-03 -0.16435E-05 210 0.809E-03 0.448E-03
DAV: 28 -0.383111081776E+03 -0.15407E-03 -0.58241E-06 228 0.475E-03 0.330E-03
DAV: 29 -0.383111133923E+03 -0.52147E-04 -0.20018E-06 237 0.312E-03 0.151E-03
DAV: 30 -0.383111207241E+03 -0.73318E-04 -0.36033E-06 192 0.468E-03 0.204E-03
DAV: 31 -0.383111216619E+03 -0.93788E-05 -0.93925E-07 228 0.232E-03
1 F= -.38311122E+03 E0= -.38312833E+03 d E =0.513533E-01