iterations/neb0_image04_iter57_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 0.144884388777E+04 0.14488E+04 -0.44210E+04 330 0.697E+02
DAV: 2 0.227336059647E+03 -0.12215E+04 -0.11449E+04 426 0.163E+02
DAV: 3 -0.365313881202E+03 -0.59265E+03 -0.58935E+03 354 0.114E+02
DAV: 4 -0.433464612348E+03 -0.68151E+02 -0.67907E+02 309 0.494E+01
DAV: 5 -0.434983916390E+03 -0.15193E+01 -0.15167E+01 336 0.760E+00 0.427E+01
DAV: 6 -0.389013132966E+03 0.45971E+02 -0.14882E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385543220723E+03 0.34699E+01 -0.13213E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384060374584E+03 0.14828E+01 -0.18044E+00 336 0.376E+00 0.425E+00
DAV: 9 -0.383516354074E+03 0.54402E+00 -0.97794E-01 336 0.201E+00 0.101E+00
DAV: 10 -0.383456031285E+03 0.60323E-01 -0.13981E-01 327 0.887E-01 0.970E-01
DAV: 11 -0.383435750831E+03 0.20280E-01 -0.12667E-01 354 0.559E-01 0.660E-01
DAV: 12 -0.383413529036E+03 0.22222E-01 -0.66372E-02 318 0.414E-01 0.838E-01
DAV: 13 -0.383403497201E+03 0.10032E-01 -0.20869E-01 390 0.439E-01 0.634E-01
DAV: 14 -0.383386152973E+03 0.17344E-01 -0.54500E-02 318 0.485E-01 0.340E-01
DAV: 15 -0.383390027678E+03 -0.38747E-02 -0.20212E-02 345 0.334E-01 0.242E-01
DAV: 16 -0.383396087419E+03 -0.60597E-02 -0.83544E-03 309 0.239E-01 0.184E-01
DAV: 17 -0.383401046922E+03 -0.49595E-02 -0.23913E-03 309 0.136E-01 0.145E-01
DAV: 18 -0.383411059519E+03 -0.10013E-01 -0.24020E-03 291 0.142E-01 0.116E-01
DAV: 19 -0.383417904280E+03 -0.68448E-02 -0.14509E-03 336 0.103E-01 0.813E-02
DAV: 20 -0.383425234352E+03 -0.73301E-02 -0.75335E-04 318 0.686E-02 0.754E-02
DAV: 21 -0.383432837564E+03 -0.76032E-02 -0.53316E-04 300 0.497E-02 0.388E-02
DAV: 22 -0.383435916166E+03 -0.30786E-02 -0.19821E-04 327 0.298E-02 0.320E-02
DAV: 23 -0.383437881442E+03 -0.19653E-02 -0.11534E-04 327 0.219E-02 0.231E-02
DAV: 24 -0.383439628098E+03 -0.17467E-02 -0.76488E-05 300 0.176E-02 0.142E-02
DAV: 25 -0.383440855035E+03 -0.12269E-02 -0.63203E-05 291 0.132E-02 0.887E-03
DAV: 26 -0.383441208399E+03 -0.35336E-03 -0.10144E-05 246 0.804E-03 0.552E-03
DAV: 27 -0.383441617565E+03 -0.40917E-03 -0.16111E-05 219 0.837E-03 0.406E-03
DAV: 28 -0.383441690991E+03 -0.73426E-04 -0.33484E-06 228 0.429E-03 0.297E-03
DAV: 29 -0.383441747056E+03 -0.56065E-04 -0.25820E-06 228 0.439E-03 0.222E-03
DAV: 30 -0.383441805443E+03 -0.58387E-04 -0.21621E-06 210 0.305E-03 0.189E-03
DAV: 31 -0.383441842714E+03 -0.37271E-04 -0.10725E-06 228 0.200E-03 0.128E-03
DAV: 32 -0.383441864942E+03 -0.22228E-04 -0.10460E-06 210 0.234E-03 0.517E-04
DAV: 33 -0.383441874379E+03 -0.94364E-05 -0.45792E-07 228 0.133E-03
1 F= -.38344187E+03 E0= -.38345873E+03 d E =0.505736E-01