iterations/neb0_image01_iter31_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 0.144718186562E+04 0.14472E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224113114866E+03 -0.12231E+04 -0.11460E+04 435 0.163E+02
DAV: 3 -0.363082280844E+03 -0.58720E+03 -0.58376E+03 345 0.114E+02
DAV: 4 -0.433509873875E+03 -0.70428E+02 -0.70152E+02 318 0.508E+01
DAV: 5 -0.435082513157E+03 -0.15726E+01 -0.15701E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389101376951E+03 0.45981E+02 -0.14808E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385629834701E+03 0.34715E+01 -0.13555E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384151657267E+03 0.14782E+01 -0.21086E+00 327 0.382E+00 0.433E+00
DAV: 9 -0.383610106985E+03 0.54155E+00 -0.17433E+00 336 0.243E+00 0.138E+00
DAV: 10 -0.383541700244E+03 0.68407E-01 -0.30927E-01 318 0.114E+00 0.105E+00
DAV: 11 -0.383519028106E+03 0.22672E-01 -0.27229E-01 363 0.645E-01 0.996E-01
DAV: 12 -0.383492853663E+03 0.26174E-01 -0.23277E-01 327 0.698E-01 0.892E-01
DAV: 13 -0.383477416179E+03 0.15437E-01 -0.17332E-01 363 0.541E-01 0.697E-01
DAV: 14 -0.383464749369E+03 0.12667E-01 -0.24206E-02 354 0.389E-01 0.349E-01
DAV: 15 -0.383462289605E+03 0.24598E-02 -0.12909E-02 309 0.374E-01 0.213E-01
DAV: 16 -0.383468406829E+03 -0.61172E-02 -0.67305E-03 318 0.255E-01 0.198E-01
DAV: 17 -0.383476263821E+03 -0.78570E-02 -0.28871E-03 291 0.178E-01 0.168E-01
DAV: 18 -0.383483155764E+03 -0.68919E-02 -0.28395E-03 363 0.164E-01 0.134E-01
DAV: 19 -0.383492342492E+03 -0.91867E-02 -0.51855E-03 354 0.170E-01 0.193E-01
DAV: 20 -0.383492015770E+03 0.32672E-03 -0.22534E-03 327 0.880E-02 0.923E-02
DAV: 21 -0.383497277257E+03 -0.52615E-02 -0.63963E-04 309 0.642E-02 0.109E-01
DAV: 22 -0.383502367555E+03 -0.50903E-02 -0.59686E-04 318 0.592E-02 0.478E-02
DAV: 23 -0.383506321640E+03 -0.39541E-02 -0.21366E-04 327 0.404E-02 0.542E-02
DAV: 24 -0.383509395021E+03 -0.30734E-02 -0.14389E-04 300 0.290E-02 0.269E-02
DAV: 25 -0.383511453882E+03 -0.20589E-02 -0.11481E-04 327 0.220E-02 0.173E-02
DAV: 26 -0.383512433197E+03 -0.97931E-03 -0.47290E-05 318 0.151E-02 0.141E-02
DAV: 27 -0.383513256503E+03 -0.82331E-03 -0.31743E-05 291 0.118E-02 0.132E-02
DAV: 28 -0.383513694349E+03 -0.43785E-03 -0.23264E-05 255 0.101E-02 0.548E-03
DAV: 29 -0.383513933215E+03 -0.23887E-03 -0.12958E-05 246 0.765E-03 0.493E-03
DAV: 30 -0.383514025867E+03 -0.92652E-04 -0.28239E-06 228 0.381E-03 0.189E-03
DAV: 31 -0.383514097489E+03 -0.71621E-04 -0.27544E-06 210 0.299E-03 0.215E-03
DAV: 32 -0.383514136742E+03 -0.39254E-04 -0.15673E-06 228 0.239E-03 0.146E-03
DAV: 33 -0.383514159722E+03 -0.22980E-04 -0.10045E-06 210 0.204E-03 0.977E-04
DAV: 34 -0.383514167531E+03 -0.78084E-05 -0.45701E-07 228 0.131E-03
1 F= -.38351417E+03 E0= -.38353083E+03 d E =0.500019E-01