iterations/neb0_image04_iter54_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 0.144911607161E+04 0.14491E+04 -0.44209E+04 330 0.697E+02
DAV: 2 0.227907482819E+03 -0.12212E+04 -0.11451E+04 426 0.163E+02
DAV: 3 -0.365090070585E+03 -0.59300E+03 -0.58966E+03 354 0.114E+02
DAV: 4 -0.433456647750E+03 -0.68367E+02 -0.68137E+02 300 0.495E+01
DAV: 5 -0.434988596597E+03 -0.15319E+01 -0.15292E+01 327 0.762E+00 0.427E+01
DAV: 6 -0.389034424336E+03 0.45954E+02 -0.14864E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385565925106E+03 0.34685E+01 -0.13229E+01 345 0.775E+00 0.104E+01
DAV: 8 -0.384076873088E+03 0.14891E+01 -0.17985E+00 336 0.376E+00 0.425E+00
DAV: 9 -0.383536748621E+03 0.54012E+00 -0.88761E-01 336 0.203E+00 0.105E+00
DAV: 10 -0.383482901070E+03 0.53848E-01 -0.19067E-01 327 0.931E-01 0.904E-01
DAV: 11 -0.383454172423E+03 0.28729E-01 -0.10901E-01 345 0.555E-01 0.697E-01
DAV: 12 -0.383439519252E+03 0.14653E-01 -0.16632E-01 345 0.522E-01 0.964E-01
DAV: 13 -0.383420265115E+03 0.19254E-01 -0.17416E-01 372 0.440E-01 0.454E-01
DAV: 14 -0.383409913902E+03 0.10351E-01 -0.48113E-02 309 0.427E-01 0.327E-01
DAV: 15 -0.383410956183E+03 -0.10423E-02 -0.12571E-02 336 0.300E-01 0.210E-01
DAV: 16 -0.383417557941E+03 -0.66018E-02 -0.48015E-03 336 0.248E-01 0.160E-01
DAV: 17 -0.383433185016E+03 -0.15627E-01 -0.12227E-02 336 0.319E-01 0.460E-01
DAV: 18 -0.383431186420E+03 0.19986E-02 -0.35014E-03 318 0.136E-01 0.286E-01
DAV: 19 -0.383435256583E+03 -0.40702E-02 -0.64390E-04 282 0.569E-02 0.262E-01
DAV: 20 -0.383442741112E+03 -0.74845E-02 -0.18724E-03 318 0.973E-02 0.109E-01
DAV: 21 -0.383448015476E+03 -0.52744E-02 -0.64309E-04 336 0.690E-02 0.644E-02
DAV: 22 -0.383453148463E+03 -0.51330E-02 -0.23630E-04 309 0.384E-02 0.364E-02
DAV: 23 -0.383457183436E+03 -0.40350E-02 -0.21307E-04 309 0.335E-02 0.398E-02
DAV: 24 -0.383459781798E+03 -0.25984E-02 -0.11294E-04 300 0.212E-02 0.270E-02
DAV: 25 -0.383461224963E+03 -0.14432E-02 -0.76372E-05 309 0.164E-02 0.113E-02
DAV: 26 -0.383461814232E+03 -0.58927E-03 -0.16245E-05 246 0.934E-03 0.789E-03
DAV: 27 -0.383462264978E+03 -0.45075E-03 -0.19252E-05 255 0.853E-03 0.570E-03
DAV: 28 -0.383462475255E+03 -0.21028E-03 -0.65116E-06 219 0.563E-03 0.426E-03
DAV: 29 -0.383462579096E+03 -0.10384E-03 -0.50409E-06 228 0.487E-03 0.245E-03
DAV: 30 -0.383462608993E+03 -0.29897E-04 -0.11034E-06 228 0.290E-03 0.161E-03
DAV: 31 -0.383462652451E+03 -0.43458E-04 -0.16410E-06 201 0.283E-03 0.183E-03
DAV: 32 -0.383462668748E+03 -0.16297E-04 -0.68780E-07 228 0.204E-03 0.856E-04
DAV: 33 -0.383462674376E+03 -0.56286E-05 -0.48382E-07 228 0.176E-03
1 F= -.38346267E+03 E0= -.38347949E+03 d E =0.504463E-01