./iterations/neb0_image07_iter10_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.163126373590E+04 0.16313E+04 -0.42288E+04 306 0.696E+02
DAV: 2 0.304394005035E+03 -0.13269E+04 -0.12476E+04 420 0.167E+02
DAV: 3 -0.357610092054E+03 -0.66200E+03 -0.65639E+03 364 0.123E+02
DAV: 4 -0.433180353122E+03 -0.75570E+02 -0.75291E+02 308 0.531E+01
DAV: 5 -0.434871040073E+03 -0.16907E+01 -0.16874E+01 332 0.817E+00 0.427E+01
DAV: 6 -0.388781756531E+03 0.46089E+02 -0.14929E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385248133519E+03 0.35336E+01 -0.12410E+01 348 0.781E+00 0.104E+01
DAV: 8 -0.383805043135E+03 0.14431E+01 -0.18481E+00 340 0.376E+00 0.416E+00
DAV: 9 -0.383254543205E+03 0.55050E+00 -0.71078E-01 332 0.194E+00 0.131E+00
DAV: 10 -0.383221675682E+03 0.32868E-01 -0.58708E-01 388 0.970E-01 0.838E-01
DAV: 11 -0.383189227613E+03 0.32448E-01 -0.33366E-02 316 0.498E-01 0.671E-01
DAV: 12 -0.383175624491E+03 0.13603E-01 -0.33176E-02 364 0.431E-01 0.682E-01
DAV: 13 -0.383149998141E+03 0.25626E-01 -0.36927E-02 332 0.543E-01 0.402E-01
DAV: 14 -0.383146932937E+03 0.30652E-02 -0.29857E-02 324 0.458E-01 0.236E-01
DAV: 15 -0.383151192545E+03 -0.42596E-02 -0.10603E-02 332 0.267E-01 0.221E-01
DAV: 16 -0.383157113465E+03 -0.59209E-02 -0.68464E-03 292 0.241E-01 0.131E-01
DAV: 17 -0.383168070221E+03 -0.10957E-01 -0.65422E-03 324 0.303E-01 0.172E-01
DAV: 18 -0.383170194533E+03 -0.21243E-02 -0.40410E-03 324 0.170E-01 0.128E-01
DAV: 19 -0.383171708700E+03 -0.15142E-02 -0.39149E-04 340 0.622E-02 0.114E-01
DAV: 20 -0.383179323729E+03 -0.76150E-02 -0.82269E-03 332 0.231E-01 0.143E-01
DAV: 21 -0.383183482972E+03 -0.41592E-02 -0.21717E-03 308 0.116E-01 0.170E-01
DAV: 22 -0.383183278530E+03 0.20444E-03 -0.11061E-03 332 0.629E-02 0.102E-01
DAV: 23 -0.383188593198E+03 -0.53147E-02 -0.78414E-04 300 0.665E-02 0.835E-02
DAV: 24 -0.383192017405E+03 -0.34242E-02 -0.74802E-04 324 0.539E-02 0.355E-02
DAV: 25 -0.383193551790E+03 -0.15344E-02 -0.12538E-04 324 0.327E-02 0.285E-02
DAV: 26 -0.383194935341E+03 -0.13836E-02 -0.23990E-04 284 0.277E-02 0.231E-02
DAV: 27 -0.383196660603E+03 -0.17253E-02 -0.19400E-04 276 0.275E-02 0.413E-02
DAV: 28 -0.383197314275E+03 -0.65367E-03 -0.60810E-05 316 0.216E-02 0.406E-02
DAV: 29 -0.383197427697E+03 -0.11342E-03 -0.11446E-05 252 0.917E-03 0.380E-02
DAV: 30 -0.383197483758E+03 -0.56061E-04 -0.24325E-06 212 0.488E-03 0.379E-02
DAV: 31 -0.383197482929E+03 0.82920E-06 -0.10043E-06 236 0.236E-03
1 F= -.38319748E+03 E0= -.38321729E+03 d E =0.594337E-01