iterations/neb0_image03_iter46_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 0.145318492819E+04 0.14532E+04 -0.44207E+04 330 0.697E+02
DAV: 2 0.230041298228E+03 -0.12231E+04 -0.11467E+04 426 0.163E+02
DAV: 3 -0.361005705300E+03 -0.59105E+03 -0.58784E+03 345 0.114E+02
DAV: 4 -0.432720989718E+03 -0.71715E+02 -0.71472E+02 309 0.513E+01
DAV: 5 -0.434345144078E+03 -0.16242E+01 -0.16212E+01 336 0.791E+00 0.429E+01
DAV: 6 -0.387530058988E+03 0.46815E+02 -0.14971E+02 309 0.288E+01 0.209E+01
DAV: 7 -0.384037711482E+03 0.34923E+01 -0.12908E+01 336 0.783E+00 0.105E+01
DAV: 8 -0.382573669807E+03 0.14640E+01 -0.17419E+00 327 0.367E+00 0.423E+00
DAV: 9 -0.381993397964E+03 0.58027E+00 -0.59928E-01 336 0.190E+00 0.873E-01
DAV: 10 -0.381942232154E+03 0.51166E-01 -0.94824E-02 345 0.866E-01 0.630E-01
DAV: 11 -0.381912443477E+03 0.29789E-01 -0.15127E-02 309 0.398E-01 0.329E-01
DAV: 12 -0.381894620130E+03 0.17823E-01 -0.16298E-02 327 0.390E-01 0.187E-01
DAV: 13 -0.381896232601E+03 -0.16125E-02 -0.13118E-02 318 0.404E-01 0.137E-01
DAV: 14 -0.381910303068E+03 -0.14070E-01 -0.79254E-03 300 0.298E-01 0.101E-01
DAV: 15 -0.381922756415E+03 -0.12453E-01 -0.31337E-03 336 0.169E-01 0.499E-02
DAV: 16 -0.381930497525E+03 -0.77411E-02 -0.84435E-04 327 0.865E-02 0.475E-02
DAV: 17 -0.381937469376E+03 -0.69719E-02 -0.54937E-04 363 0.642E-02 0.349E-02
DAV: 18 -0.381945742293E+03 -0.82729E-02 -0.55206E-04 300 0.464E-02 0.245E-02
DAV: 19 -0.381948401804E+03 -0.26595E-02 -0.14945E-04 336 0.277E-02 0.145E-02
DAV: 20 -0.381950241469E+03 -0.18397E-02 -0.11827E-04 309 0.266E-02 0.120E-02
DAV: 21 -0.381951038887E+03 -0.79742E-03 -0.20689E-05 255 0.128E-02 0.744E-03
DAV: 22 -0.381951796579E+03 -0.75769E-03 -0.47174E-05 291 0.141E-02 0.436E-03
DAV: 23 -0.381952052064E+03 -0.25548E-03 -0.58019E-06 228 0.736E-03 0.247E-03
DAV: 24 -0.381952237562E+03 -0.18550E-03 -0.87008E-06 210 0.650E-03 0.322E-03
DAV: 25 -0.381952332804E+03 -0.95242E-04 -0.28822E-06 228 0.412E-03 0.204E-03
DAV: 26 -0.381952384255E+03 -0.51451E-04 -0.32688E-06 201 0.488E-03 0.146E-03
DAV: 27 -0.381952409457E+03 -0.25202E-04 -0.14517E-06 219 0.300E-03 0.118E-03
DAV: 28 -0.381952421548E+03 -0.12091E-04 -0.67476E-07 228 0.164E-03 0.823E-04
DAV: 29 -0.381952425175E+03 -0.36277E-05 -0.24929E-07 228 0.109E-03
1 F= -.38195243E+03 E0= -.38195629E+03 d E =0.115960E-01