iterations/neb0_image06_iter1_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 0.145079619143E+04 0.14508E+04 -0.44220E+04 330 0.697E+02
DAV: 2 0.227851272195E+03 -0.12229E+04 -0.11471E+04 426 0.163E+02
DAV: 3 -0.365046953303E+03 -0.59290E+03 -0.58963E+03 354 0.114E+02
DAV: 4 -0.432993588713E+03 -0.67947E+02 -0.67690E+02 318 0.491E+01
DAV: 5 -0.434478698015E+03 -0.14851E+01 -0.14827E+01 318 0.758E+00 0.426E+01
DAV: 6 -0.388740468825E+03 0.45738E+02 -0.14811E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385311352861E+03 0.34291E+01 -0.13303E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.383866904314E+03 0.14444E+01 -0.23922E+00 336 0.390E+00 0.434E+00
DAV: 9 -0.383316145795E+03 0.55076E+00 -0.12628E+00 327 0.236E+00 0.123E+00
DAV: 10 -0.383235045817E+03 0.81100E-01 -0.16208E-01 327 0.112E+00 0.872E-01
DAV: 11 -0.383218395336E+03 0.16650E-01 -0.77031E-02 327 0.763E-01 0.919E-01
DAV: 12 -0.383194382420E+03 0.24013E-01 -0.94714E-02 345 0.588E-01 0.549E-01
DAV: 13 -0.383186753214E+03 0.76292E-02 -0.81718E-02 309 0.431E-01 0.784E-01
DAV: 14 -0.383173824693E+03 0.12929E-01 -0.14064E-01 336 0.425E-01 0.357E-01
DAV: 15 -0.383172391145E+03 0.14335E-02 -0.10991E-02 300 0.335E-01 0.266E-01
DAV: 16 -0.383182050752E+03 -0.96596E-02 -0.77722E-03 291 0.272E-01 0.252E-01
DAV: 17 -0.383192860459E+03 -0.10810E-01 -0.46565E-03 390 0.242E-01 0.190E-01
DAV: 18 -0.383201789261E+03 -0.89288E-02 -0.22503E-03 309 0.142E-01 0.111E-01
DAV: 19 -0.383207490072E+03 -0.57008E-02 -0.55249E-04 318 0.614E-02 0.149E-01
DAV: 20 -0.383213310555E+03 -0.58205E-02 -0.77701E-04 300 0.522E-02 0.422E-02
DAV: 21 -0.383219637415E+03 -0.63269E-02 -0.53839E-04 327 0.526E-02 0.252E-02
DAV: 22 -0.383221420692E+03 -0.17833E-02 -0.70957E-05 327 0.218E-02 0.218E-02
DAV: 23 -0.383223909115E+03 -0.24884E-02 -0.13084E-04 291 0.245E-02 0.418E-02
DAV: 24 -0.383225279797E+03 -0.13707E-02 -0.78286E-05 309 0.199E-02 0.211E-02
DAV: 25 -0.383225819600E+03 -0.53980E-03 -0.39748E-05 300 0.152E-02 0.763E-03
DAV: 26 -0.383225873112E+03 -0.53512E-04 -0.51195E-06 246 0.631E-03 0.600E-03
DAV: 27 -0.383226090791E+03 -0.21768E-03 -0.49621E-06 201 0.543E-03 0.102E-02
DAV: 28 -0.383226296595E+03 -0.20580E-03 -0.78225E-06 210 0.594E-03 0.376E-03
DAV: 29 -0.383226337728E+03 -0.41133E-04 -0.28852E-06 237 0.423E-03 0.240E-03
DAV: 30 -0.383226372170E+03 -0.34442E-04 -0.13658E-06 192 0.300E-03 0.156E-03
DAV: 31 -0.383226408658E+03 -0.36488E-04 -0.14843E-06 219 0.290E-03 0.102E-03
DAV: 32 -0.383226428461E+03 -0.19802E-04 -0.11981E-06 210 0.259E-03 0.106E-03
DAV: 33 -0.383226434450E+03 -0.59898E-05 -0.63002E-07 228 0.199E-03
1 F= -.38322643E+03 E0= -.38323994E+03 d E =0.405262E-01