./iterations/neb0_image04_iter33_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 0.151125879123E+04 0.15113E+04 -0.43534E+04 322 0.697E+02
DAV: 2 0.254369354464E+03 -0.12569E+04 -0.11801E+04 428 0.164E+02
DAV: 3 -0.354224840117E+03 -0.60859E+03 -0.60492E+03 348 0.118E+02
DAV: 4 -0.433102189692E+03 -0.78877E+02 -0.78534E+02 316 0.536E+01
DAV: 5 -0.434961889786E+03 -0.18597E+01 -0.18564E+01 340 0.832E+00 0.426E+01
DAV: 6 -0.389166011293E+03 0.45796E+02 -0.14843E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385707773398E+03 0.34582E+01 -0.12597E+01 340 0.780E+00 0.104E+01
DAV: 8 -0.384283175028E+03 0.14246E+01 -0.18813E+00 332 0.374E+00 0.420E+00
DAV: 9 -0.383758262382E+03 0.52491E+00 -0.10980E+00 332 0.203E+00 0.129E+00
DAV: 10 -0.383693552152E+03 0.64710E-01 -0.28898E-01 340 0.950E-01 0.950E-01
DAV: 11 -0.383673928786E+03 0.19623E-01 -0.21727E-01 324 0.612E-01 0.826E-01
DAV: 12 -0.383646538501E+03 0.27390E-01 -0.39634E-02 316 0.446E-01 0.443E-01
DAV: 13 -0.383630550523E+03 0.15988E-01 -0.52621E-02 308 0.479E-01 0.385E-01
DAV: 14 -0.383625510251E+03 0.50403E-02 -0.28111E-02 324 0.423E-01 0.283E-01
DAV: 15 -0.383632878591E+03 -0.73683E-02 -0.31368E-02 340 0.356E-01 0.286E-01
DAV: 16 -0.383637640784E+03 -0.47622E-02 -0.45626E-03 316 0.192E-01 0.224E-01
DAV: 17 -0.383647177963E+03 -0.95372E-02 -0.89875E-03 340 0.213E-01 0.266E-01
DAV: 18 -0.383655382413E+03 -0.82045E-02 -0.53052E-03 324 0.197E-01 0.938E-02
DAV: 19 -0.383660305153E+03 -0.49227E-02 -0.15133E-03 324 0.128E-01 0.640E-02
DAV: 20 -0.383663108792E+03 -0.28036E-02 -0.46756E-04 332 0.644E-02 0.802E-02
DAV: 21 -0.383667122863E+03 -0.40141E-02 -0.24705E-04 316 0.744E-02 0.565E-02
DAV: 22 -0.383668712258E+03 -0.15894E-02 -0.36646E-04 340 0.578E-02 0.541E-02
DAV: 23 -0.383668210519E+03 0.50174E-03 -0.92982E-05 308 0.302E-02 0.530E-02
DAV: 24 -0.383668480673E+03 -0.27015E-03 -0.67014E-05 316 0.296E-02 0.520E-02
DAV: 25 -0.383671732682E+03 -0.32520E-02 -0.17353E-03 388 0.198E-01 0.665E-02
DAV: 26 -0.383673869243E+03 -0.21366E-02 -0.28621E-03 396 0.187E-01 0.947E-02
DAV: 27 -0.383673935932E+03 -0.66689E-04 -0.83412E-04 316 0.666E-02 0.118E-01
DAV: 28 -0.383673804548E+03 0.13138E-03 -0.20261E-05 316 0.110E-02 0.112E-01
DAV: 29 -0.383674205018E+03 -0.40047E-03 -0.33278E-05 284 0.193E-02 0.127E-01
DAV: 30 -0.383676173016E+03 -0.19680E-02 -0.82907E-04 300 0.114E-01 0.228E-01
DAV: 31 -0.383677461348E+03 -0.12883E-02 -0.53278E-04 324 0.535E-02 0.277E-01
DAV: 32 -0.383677579953E+03 -0.11861E-03 -0.65271E-05 316 0.242E-02 0.288E-01
DAV: 33 -0.383679682125E+03 -0.21022E-02 -0.12080E-03 380 0.151E-01 0.379E-01
DAV: 34 -0.383685412077E+03 -0.57300E-02 -0.10082E-02 396 0.363E-01 0.630E-01
DAV: 35 -0.383684550495E+03 0.86158E-03 -0.24982E-03 308 0.144E-01 0.618E-01
DAV: 36 -0.383685183573E+03 -0.63308E-03 -0.20135E-04 324 0.552E-02 0.615E-01
DAV: 37 -0.383684546045E+03 0.63753E-03 -0.21236E-04 396 0.573E-02 0.568E-01
DAV: 38 -0.383682078549E+03 0.24675E-02 -0.34004E-03 404 0.205E-01 0.403E-01
DAV: 39 -0.383681217820E+03 0.86073E-03 -0.37845E-03 308 0.173E-01 0.236E-01
DAV: 40 -0.383680965168E+03 0.25265E-03 -0.95430E-04 380 0.919E-02 0.168E-01
DAV: 41 -0.383680631303E+03 0.33386E-03 -0.60934E-04 388 0.905E-02 0.110E-01
DAV: 42 -0.383680449720E+03 0.18158E-03 -0.41887E-04 380 0.700E-02 0.791E-02
DAV: 43 -0.383680210557E+03 0.23916E-03 -0.27331E-04 372 0.735E-02 0.672E-02
DAV: 44 -0.383680102515E+03 0.10804E-03 -0.17717E-04 324 0.496E-02 0.732E-02
DAV: 45 -0.383680194580E+03 -0.92066E-04 -0.44772E-05 300 0.266E-02 0.682E-02
DAV: 46 -0.383680158856E+03 0.35724E-04 -0.41397E-06 204 0.127E-02 0.715E-02
DAV: 47 -0.383680269218E+03 -0.11036E-03 -0.16074E-05 244 0.268E-02 0.667E-02
DAV: 48 -0.383680394126E+03 -0.12491E-03 -0.41462E-05 276 0.135E-02 0.731E-02
DAV: 49 -0.383681002902E+03 -0.60878E-03 -0.23341E-04 332 0.127E-01 0.947E-02
DAV: 50 -0.383681269313E+03 -0.26641E-03 -0.46489E-04 332 0.582E-02 0.110E-01
DAV: 51 -0.383681278504E+03 -0.91908E-05 -0.90488E-05 300 0.222E-02
1 F= -.38368128E+03 E0= -.38370014E+03 d E =0.565724E-01