iterations/neb0_image08_iter71_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 0.133151820301E+04 0.13315E+04 -0.43196E+04 330 0.696E+02
DAV: 2 0.220127592513E+03 -0.11114E+04 -0.10586E+04 426 0.157E+02
DAV: 3 -0.245030419423E+03 -0.46516E+03 -0.44859E+03 354 0.105E+02
DAV: 4 -0.314660387311E+03 -0.69630E+02 -0.64909E+02 291 0.434E+01
DAV: 5 -0.317661640511E+03 -0.30013E+01 -0.29182E+01 345 0.875E+00 0.456E+01
DAV: 6 -0.339009343586E+03 -0.21348E+02 -0.39931E+02 336 0.358E+01 0.553E+01
DAV: 7 -0.293169832048E+03 0.45840E+02 -0.46887E+01 288 0.145E+01 0.316E+01
DAV: 8 -0.278484410925E+03 0.14685E+02 -0.24775E+01 309 0.102E+01 0.254E+01
DAV: 9 -0.281271240729E+03 -0.27868E+01 -0.59838E+01 345 0.926E+00 0.358E+01
DAV: 10 -0.273039702895E+03 0.82315E+01 -0.84476E+01 345 0.661E+00 0.184E+01
DAV: 11 -0.272575770593E+03 0.46393E+00 -0.30974E+01 318 0.386E+00 0.236E+01
DAV: 12 -0.270546506616E+03 0.20293E+01 -0.30574E+01 363 0.369E+00 0.149E+01
DAV: 13 -0.268753778990E+03 0.17927E+01 -0.54927E+00 309 0.212E+00 0.126E+01
DAV: 14 -0.268614828031E+03 0.13895E+00 -0.72491E+00 309 0.107E+00 0.132E+01
DAV: 15 -0.267871960213E+03 0.74287E+00 -0.59053E-01 291 0.596E-01 0.575E+00
DAV: 16 -0.267887187783E+03 -0.15228E-01 -0.35829E-01 309 0.376E-01 0.537E+00
DAV: 17 -0.268737938068E+03 -0.85075E+00 -0.70372E+00 372 0.122E+00 0.120E+01
DAV: 18 -0.268162536892E+03 0.57540E+00 -0.14648E+00 381 0.136E+00 0.113E+01
DAV: 19 -0.267861295413E+03 0.30124E+00 -0.19031E+00 336 0.858E-01 0.769E+00
DAV: 20 -0.267759273636E+03 0.10202E+00 -0.70499E-01 300 0.611E-01 0.535E+00
DAV: 21 -0.267722283488E+03 0.36990E-01 -0.78338E-02 318 0.247E-01 0.350E+00
DAV: 22 -0.267838669514E+03 -0.11639E+00 -0.94382E-01 336 0.520E-01 0.587E+00
DAV: 23 -0.267753267942E+03 0.85402E-01 -0.73213E-01 309 0.471E-01 0.299E+00
DAV: 24 -0.267818394336E+03 -0.65126E-01 -0.13946E-01 291 0.256E-01 0.707E+00
DAV: 25 -0.267748835717E+03 0.69559E-01 -0.75216E-01 327 0.230E-01 0.393E+00
DAV: 26 -0.267808295722E+03 -0.59460E-01 -0.13222E-01 282 0.298E-01 0.523E+00
DAV: 27 -0.267776102258E+03 0.32193E-01 -0.16510E-01 300 0.278E-01 0.457E+00
DAV: 28 -0.267761755395E+03 0.14347E-01 -0.42583E-02 273 0.155E-01 0.247E+00
DAV: 29 -0.267788385180E+03 -0.26630E-01 -0.10914E-02 300 0.112E-01 0.327E+00
DAV: 30 -0.267778195140E+03 0.10190E-01 -0.54150E-02 327 0.102E-01 0.113E+00
DAV: 31 -0.267801275435E+03 -0.23080E-01 -0.21396E-02 300 0.140E-01 0.970E-01
DAV: 32 -0.267813748785E+03 -0.12473E-01 -0.36380E-02 336 0.950E-02 0.156E+00
DAV: 33 -0.267813669909E+03 0.78876E-04 -0.45367E-03 300 0.865E-02 0.750E-01
DAV: 34 -0.267822763709E+03 -0.90938E-02 -0.32429E-03 318 0.582E-02 0.789E-01
DAV: 35 -0.267827700449E+03 -0.49367E-02 -0.17143E-03 318 0.499E-02 0.289E-01
DAV: 36 -0.267830646984E+03 -0.29465E-02 -0.69697E-04 318 0.339E-02 0.242E-01
DAV: 37 -0.267832745180E+03 -0.20982E-02 -0.47249E-04 300 0.231E-02 0.667E-02
DAV: 38 -0.267835129010E+03 -0.23838E-02 -0.28570E-04 291 0.213E-02 0.243E-01
DAV: 39 -0.267836016175E+03 -0.88716E-03 -0.28531E-04 255 0.165E-02 0.587E-02
DAV: 40 -0.267837131408E+03 -0.11152E-02 -0.92419E-05 264 0.137E-02 0.125E-01
DAV: 41 -0.267837557179E+03 -0.42577E-03 -0.11802E-04 246 0.779E-03 0.544E-02
DAV: 42 -0.267837811166E+03 -0.25399E-03 -0.16190E-05 228 0.639E-03 0.289E-02
DAV: 43 -0.267838042104E+03 -0.23094E-03 -0.21273E-05 219 0.462E-03 0.257E-02
DAV: 44 -0.267838139354E+03 -0.97250E-04 -0.65202E-06 219 0.383E-03 0.126E-02
DAV: 45 -0.267838200240E+03 -0.60886E-04 -0.58980E-06 192 0.231E-03 0.962E-03
DAV: 46 -0.267838240151E+03 -0.39911E-04 -0.44464E-06 192 0.196E-03 0.131E-02
DAV: 47 -0.267838255354E+03 -0.15204E-04 -0.14984E-06 174 0.151E-03 0.432E-03
DAV: 48 -0.267838267308E+03 -0.11953E-04 -0.82329E-07 183 0.109E-03 0.273E-03
DAV: 49 -0.267838273735E+03 -0.64272E-05 -0.42005E-07 183 0.864E-04
1 F= -.26783827E+03 E0= -.26775001E+03 d E =-.264784E+00