iterations/neb0_image06_iter67_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 0.145157031081E+04 0.14516E+04 -0.44253E+04 330 0.697E+02
DAV: 2 0.230883509882E+03 -0.12207E+04 -0.11437E+04 417 0.163E+02
DAV: 3 -0.364613983313E+03 -0.59550E+03 -0.59216E+03 354 0.115E+02
DAV: 4 -0.433516310557E+03 -0.68902E+02 -0.68636E+02 309 0.498E+01
DAV: 5 -0.435060203662E+03 -0.15439E+01 -0.15411E+01 336 0.769E+00 0.429E+01
DAV: 6 -0.388697078472E+03 0.46363E+02 -0.15051E+02 309 0.287E+01 0.210E+01
DAV: 7 -0.385188344231E+03 0.35087E+01 -0.13829E+01 354 0.783E+00 0.105E+01
DAV: 8 -0.383717274938E+03 0.14711E+01 -0.21464E+00 327 0.395E+00 0.443E+00
DAV: 9 -0.383172316509E+03 0.54496E+00 -0.19652E+00 327 0.253E+00 0.141E+00
DAV: 10 -0.383105204331E+03 0.67112E-01 -0.41082E-01 327 0.120E+00 0.885E-01
DAV: 11 -0.383069179256E+03 0.36025E-01 -0.64782E-02 327 0.626E-01 0.651E-01
DAV: 12 -0.383062011455E+03 0.71678E-02 -0.29607E-01 390 0.700E-01 0.896E-01
DAV: 13 -0.383029880802E+03 0.32131E-01 -0.57520E-02 327 0.503E-01 0.433E-01
DAV: 14 -0.383030610891E+03 -0.73009E-03 -0.46422E-02 327 0.407E-01 0.455E-01
DAV: 15 -0.383029943681E+03 0.66721E-03 -0.15905E-02 327 0.401E-01 0.142E-01
DAV: 16 -0.383036050706E+03 -0.61070E-02 -0.55279E-03 318 0.205E-01 0.114E-01
DAV: 17 -0.383044368092E+03 -0.83174E-02 -0.34738E-03 291 0.134E-01 0.195E-01
DAV: 18 -0.383057206447E+03 -0.12838E-01 -0.89367E-03 309 0.175E-01 0.194E-01
DAV: 19 -0.383058445350E+03 -0.12389E-02 -0.10060E-03 318 0.837E-02 0.131E-01
DAV: 20 -0.383063810144E+03 -0.53648E-02 -0.10043E-03 354 0.725E-02 0.389E-02
DAV: 21 -0.383068151010E+03 -0.43409E-02 -0.33466E-04 318 0.458E-02 0.336E-02
DAV: 22 -0.383072695158E+03 -0.45441E-02 -0.21737E-04 318 0.331E-02 0.300E-02
DAV: 23 -0.383075870048E+03 -0.31749E-02 -0.17074E-04 309 0.247E-02 0.101E-02
DAV: 24 -0.383077236709E+03 -0.13667E-02 -0.71149E-05 309 0.174E-02 0.157E-02
DAV: 25 -0.383077899055E+03 -0.66235E-03 -0.21503E-05 237 0.919E-03 0.598E-03
DAV: 26 -0.383078402930E+03 -0.50387E-03 -0.29226E-05 237 0.904E-03 0.908E-03
DAV: 27 -0.383078599169E+03 -0.19624E-03 -0.93877E-06 219 0.554E-03 0.212E-03
DAV: 28 -0.383078650850E+03 -0.51681E-04 -0.20941E-06 237 0.302E-03 0.254E-03
DAV: 29 -0.383078726439E+03 -0.75589E-04 -0.22803E-06 192 0.280E-03 0.700E-04
DAV: 30 -0.383078754228E+03 -0.27789E-04 -0.13644E-06 219 0.220E-03 0.209E-03
DAV: 31 -0.383078773424E+03 -0.19196E-04 -0.82767E-07 201 0.162E-03 0.816E-04
DAV: 32 -0.383078779553E+03 -0.61293E-05 -0.41526E-07 228 0.113E-03
1 F= -.38307878E+03 E0= -.38309150E+03 d E =0.381530E-01