iterations/neb0_image08_iter21_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 0.145271827836E+04 0.14527E+04 -0.44255E+04 330 0.697E+02
DAV: 2 0.229825288743E+03 -0.12229E+04 -0.11476E+04 426 0.163E+02
DAV: 3 -0.360520078639E+03 -0.59035E+03 -0.58676E+03 345 0.114E+02
DAV: 4 -0.432800122577E+03 -0.72280E+02 -0.71997E+02 318 0.513E+01
DAV: 5 -0.434443162061E+03 -0.16430E+01 -0.16403E+01 318 0.797E+00 0.427E+01
DAV: 6 -0.388608384709E+03 0.45835E+02 -0.14755E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385147986293E+03 0.34604E+01 -0.13005E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383688417527E+03 0.14596E+01 -0.18216E+00 345 0.380E+00 0.423E+00
DAV: 9 -0.383137436099E+03 0.55098E+00 -0.83509E-01 336 0.206E+00 0.971E-01
DAV: 10 -0.383080066306E+03 0.57370E-01 -0.12557E-01 327 0.907E-01 0.879E-01
DAV: 11 -0.383059696648E+03 0.20370E-01 -0.10032E-01 372 0.611E-01 0.691E-01
DAV: 12 -0.383033511619E+03 0.26185E-01 -0.31447E-02 327 0.398E-01 0.444E-01
DAV: 13 -0.383031061230E+03 0.24504E-02 -0.19013E-01 336 0.554E-01 0.864E-01
DAV: 14 -0.383014102028E+03 0.16959E-01 -0.29897E-02 318 0.415E-01 0.493E-01
DAV: 15 -0.383015785422E+03 -0.16834E-02 -0.24096E-02 327 0.321E-01 0.167E-01
DAV: 16 -0.383024448382E+03 -0.86630E-02 -0.44147E-03 309 0.207E-01 0.190E-01
DAV: 17 -0.383034954606E+03 -0.10506E-01 -0.34000E-03 300 0.206E-01 0.266E-01
DAV: 18 -0.383044435001E+03 -0.94804E-02 -0.66594E-03 309 0.218E-01 0.113E-01
DAV: 19 -0.383050485019E+03 -0.60500E-02 -0.13105E-03 327 0.968E-02 0.107E-01
DAV: 20 -0.383053561896E+03 -0.30769E-02 -0.34215E-04 327 0.466E-02 0.699E-02
DAV: 21 -0.383058693120E+03 -0.51312E-02 -0.41305E-04 336 0.575E-02 0.526E-02
DAV: 22 -0.383063383674E+03 -0.46906E-02 -0.27289E-04 318 0.390E-02 0.242E-02
DAV: 23 -0.383065136622E+03 -0.17529E-02 -0.76489E-05 300 0.206E-02 0.248E-02
DAV: 24 -0.383067250372E+03 -0.21137E-02 -0.12132E-04 282 0.215E-02 0.124E-02
DAV: 25 -0.383067985015E+03 -0.73464E-03 -0.34382E-05 300 0.108E-02 0.128E-02
DAV: 26 -0.383068300526E+03 -0.31551E-03 -0.59966E-06 219 0.588E-03 0.789E-03
DAV: 27 -0.383068807386E+03 -0.50686E-03 -0.28840E-05 237 0.924E-03 0.420E-03
DAV: 28 -0.383068875901E+03 -0.68515E-04 -0.28963E-06 228 0.436E-03 0.443E-03
DAV: 29 -0.383068949560E+03 -0.73659E-04 -0.18821E-06 201 0.346E-03 0.370E-03
DAV: 30 -0.383069013705E+03 -0.64145E-04 -0.28414E-06 201 0.401E-03 0.150E-03
DAV: 31 -0.383069027863E+03 -0.14159E-04 -0.70459E-07 228 0.213E-03 0.100E-03
DAV: 32 -0.383069040446E+03 -0.12582E-04 -0.64652E-07 192 0.180E-03 0.119E-03
DAV: 33 -0.383069045380E+03 -0.49346E-05 -0.22246E-07 228 0.128E-03
1 F= -.38306905E+03 E0= -.38308224E+03 d E =0.395933E-01