iterations/neb0_image04_iter38_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 0.144919944304E+04 0.14492E+04 -0.44208E+04 330 0.697E+02
DAV: 2 0.224359023098E+03 -0.12248E+04 -0.11488E+04 435 0.163E+02
DAV: 3 -0.362876053876E+03 -0.58724E+03 -0.58412E+03 345 0.114E+02
DAV: 4 -0.433371520479E+03 -0.70495E+02 -0.70251E+02 309 0.508E+01
DAV: 5 -0.434965639007E+03 -0.15941E+01 -0.15915E+01 327 0.783E+00 0.426E+01
DAV: 6 -0.389029980328E+03 0.45936E+02 -0.14795E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385562474581E+03 0.34675E+01 -0.13310E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384090543205E+03 0.14719E+01 -0.21233E+00 336 0.387E+00 0.429E+00
DAV: 9 -0.383531035174E+03 0.55951E+00 -0.71046E-01 336 0.215E+00 0.114E+00
DAV: 10 -0.383480247502E+03 0.50788E-01 -0.36763E-01 336 0.990E-01 0.118E+00
DAV: 11 -0.383454067963E+03 0.26180E-01 -0.10180E-01 336 0.595E-01 0.811E-01
DAV: 12 -0.383430458893E+03 0.23609E-01 -0.19909E-02 327 0.395E-01 0.575E-01
DAV: 13 -0.383416065813E+03 0.14393E-01 -0.78465E-02 336 0.511E-01 0.786E-01
DAV: 14 -0.383406312989E+03 0.97528E-02 -0.26990E-02 363 0.354E-01 0.273E-01
DAV: 15 -0.383408053355E+03 -0.17404E-02 -0.17045E-02 309 0.297E-01 0.241E-01
DAV: 16 -0.383410182710E+03 -0.21294E-02 -0.37600E-03 318 0.202E-01 0.143E-01
DAV: 17 -0.383420012540E+03 -0.98298E-02 -0.26187E-03 291 0.157E-01 0.926E-02
DAV: 18 -0.383432746427E+03 -0.12734E-01 -0.37030E-03 300 0.198E-01 0.616E-02
DAV: 19 -0.383441120851E+03 -0.83744E-02 -0.20596E-03 327 0.125E-01 0.613E-02
DAV: 20 -0.383444730988E+03 -0.36101E-02 -0.23418E-04 345 0.393E-02 0.573E-02
DAV: 21 -0.383452678475E+03 -0.79475E-02 -0.57759E-04 309 0.505E-02 0.504E-02
DAV: 22 -0.383456554179E+03 -0.38757E-02 -0.20499E-04 327 0.353E-02 0.232E-02
DAV: 23 -0.383458442498E+03 -0.18883E-02 -0.10318E-04 309 0.238E-02 0.240E-02
DAV: 24 -0.383459446475E+03 -0.10040E-02 -0.49377E-05 309 0.173E-02 0.997E-03
DAV: 25 -0.383460344282E+03 -0.89781E-03 -0.26664E-05 255 0.113E-02 0.880E-03
DAV: 26 -0.383461040434E+03 -0.69615E-03 -0.32154E-05 264 0.118E-02 0.535E-03
DAV: 27 -0.383461217645E+03 -0.17721E-03 -0.52511E-06 237 0.627E-03 0.364E-03
DAV: 28 -0.383461423294E+03 -0.20565E-03 -0.72445E-06 201 0.708E-03 0.252E-03
DAV: 29 -0.383461512960E+03 -0.89667E-04 -0.29868E-06 228 0.366E-03 0.205E-03
DAV: 30 -0.383461565514E+03 -0.52554E-04 -0.22090E-06 228 0.413E-03 0.114E-03
DAV: 31 -0.383461605690E+03 -0.40176E-04 -0.18612E-06 210 0.287E-03 0.127E-03
DAV: 32 -0.383461617622E+03 -0.11931E-04 -0.61760E-07 228 0.176E-03 0.862E-04
DAV: 33 -0.383461628954E+03 -0.11333E-04 -0.65549E-07 219 0.212E-03 0.588E-04
DAV: 34 -0.383461631745E+03 -0.27913E-05 -0.18367E-07 228 0.106E-03
1 F= -.38346163E+03 E0= -.38347831E+03 d E =0.500218E-01