iterations/neb0_image05_iter17_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 0.145061322742E+04 0.14506E+04 -0.44214E+04 330 0.697E+02
DAV: 2 0.232580477165E+03 -0.12180E+04 -0.11430E+04 417 0.163E+02
DAV: 3 -0.361087340344E+03 -0.59367E+03 -0.59044E+03 345 0.114E+02
DAV: 4 -0.433181173005E+03 -0.72094E+02 -0.71850E+02 309 0.515E+01
DAV: 5 -0.434828315531E+03 -0.16471E+01 -0.16443E+01 318 0.797E+00 0.426E+01
DAV: 6 -0.388963990165E+03 0.45864E+02 -0.14715E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385509575915E+03 0.34544E+01 -0.13447E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.384061607244E+03 0.14480E+01 -0.24178E+00 345 0.390E+00 0.436E+00
DAV: 9 -0.383522507200E+03 0.53910E+00 -0.15995E+00 327 0.242E+00 0.128E+00
DAV: 10 -0.383439444427E+03 0.83063E-01 -0.16086E-01 327 0.113E+00 0.101E+00
DAV: 11 -0.383419101101E+03 0.20343E-01 -0.37634E-01 336 0.989E-01 0.761E-01
DAV: 12 -0.383392410205E+03 0.26691E-01 -0.40241E-02 318 0.508E-01 0.687E-01
DAV: 13 -0.383385594552E+03 0.68157E-02 -0.70073E-02 354 0.406E-01 0.597E-01
DAV: 14 -0.383368071480E+03 0.17523E-01 -0.14178E-02 318 0.432E-01 0.236E-01
DAV: 15 -0.383367098805E+03 0.97267E-03 -0.21150E-02 336 0.442E-01 0.436E-01
DAV: 16 -0.383366650573E+03 0.44823E-03 -0.68985E-03 318 0.225E-01 0.267E-01
DAV: 17 -0.383375213730E+03 -0.85632E-02 -0.24850E-02 309 0.249E-01 0.436E-01
DAV: 18 -0.383378916619E+03 -0.37029E-02 -0.12113E-02 318 0.159E-01 0.182E-01
DAV: 19 -0.383386914834E+03 -0.79982E-02 -0.17399E-03 291 0.121E-01 0.138E-01
DAV: 20 -0.383396811600E+03 -0.98968E-02 -0.24970E-03 318 0.158E-01 0.994E-02
DAV: 21 -0.383402903006E+03 -0.60914E-02 -0.12209E-03 336 0.872E-02 0.618E-02
DAV: 22 -0.383406078385E+03 -0.31754E-02 -0.27187E-04 354 0.391E-02 0.913E-02
DAV: 23 -0.383410243398E+03 -0.41650E-02 -0.29479E-04 309 0.355E-02 0.628E-02
DAV: 24 -0.383413651746E+03 -0.34083E-02 -0.30779E-04 318 0.334E-02 0.292E-02
DAV: 25 -0.383415291272E+03 -0.16395E-02 -0.16167E-04 336 0.304E-02 0.404E-02
DAV: 26 -0.383416372649E+03 -0.10814E-02 -0.74525E-05 300 0.167E-02 0.236E-02
DAV: 27 -0.383416851451E+03 -0.47880E-03 -0.15882E-05 228 0.103E-02 0.203E-02
DAV: 28 -0.383417535431E+03 -0.68398E-03 -0.96637E-05 282 0.163E-02 0.201E-02
DAV: 29 -0.383417689301E+03 -0.15387E-03 -0.12009E-05 255 0.101E-02 0.120E-02
DAV: 30 -0.383417697215E+03 -0.79135E-05 -0.35434E-06 228 0.466E-03
1 F= -.38341770E+03 E0= -.38343444E+03 d E =0.502233E-01