./iterations/neb0_image06_iter21_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 0.162848262927E+04 0.16285E+04 -0.42282E+04 306 0.696E+02
DAV: 2 0.303403966364E+03 -0.13251E+04 -0.12467E+04 420 0.167E+02
DAV: 3 -0.352043599442E+03 -0.65545E+03 -0.64952E+03 356 0.123E+02
DAV: 4 -0.432926775417E+03 -0.80883E+02 -0.80535E+02 308 0.545E+01
DAV: 5 -0.434840767765E+03 -0.19140E+01 -0.19102E+01 332 0.849E+00 0.426E+01
DAV: 6 -0.389007704138E+03 0.45833E+02 -0.14848E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385527640393E+03 0.34801E+01 -0.12545E+01 340 0.778E+00 0.104E+01
DAV: 8 -0.384121302429E+03 0.14063E+01 -0.22190E+00 332 0.382E+00 0.429E+00
DAV: 9 -0.383570730829E+03 0.55057E+00 -0.16284E+00 332 0.234E+00 0.114E+00
DAV: 10 -0.383503576198E+03 0.67155E-01 -0.13992E-01 332 0.997E-01 0.814E-01
DAV: 11 -0.383466167715E+03 0.37408E-01 -0.76782E-02 324 0.740E-01 0.490E-01
DAV: 12 -0.383449632881E+03 0.16535E-01 -0.45696E-02 340 0.520E-01 0.512E-01
DAV: 13 -0.383440303639E+03 0.93292E-02 -0.48448E-02 364 0.369E-01 0.387E-01
DAV: 14 -0.383441066205E+03 -0.76257E-03 -0.44963E-02 348 0.368E-01 0.689E-01
DAV: 15 -0.383438224707E+03 0.28415E-02 -0.77585E-02 332 0.266E-01 0.220E-01
DAV: 16 -0.383444349710E+03 -0.61250E-02 -0.11471E-02 292 0.348E-01 0.144E-01
DAV: 17 -0.383449636941E+03 -0.52872E-02 -0.45509E-03 324 0.196E-01 0.244E-01
DAV: 18 -0.383459005308E+03 -0.93684E-02 -0.17867E-03 316 0.189E-01 0.213E-01
DAV: 19 -0.383468321781E+03 -0.93165E-02 -0.32436E-03 316 0.233E-01 0.121E-01
DAV: 20 -0.383468299612E+03 0.22168E-04 -0.15128E-03 324 0.966E-02 0.124E-01
DAV: 21 -0.383468394974E+03 -0.95362E-04 -0.57231E-05 316 0.204E-02 0.133E-01
DAV: 22 -0.383470343376E+03 -0.19484E-02 -0.30104E-03 340 0.151E-01 0.173E-01
DAV: 23 -0.383472389097E+03 -0.20457E-02 -0.14716E-03 324 0.103E-01 0.199E-01
DAV: 24 -0.383473656322E+03 -0.12672E-02 -0.31645E-04 396 0.747E-02 0.202E-01
DAV: 25 -0.383478524253E+03 -0.48679E-02 -0.40701E-03 380 0.294E-01 0.259E-01
DAV: 26 -0.383480019938E+03 -0.14957E-02 -0.39135E-03 324 0.146E-01 0.338E-01
DAV: 27 -0.383480128544E+03 -0.10861E-03 -0.46433E-04 324 0.106E-01 0.328E-01
DAV: 28 -0.383480741608E+03 -0.61306E-03 -0.27320E-03 380 0.223E-01 0.257E-01
DAV: 29 -0.383484296919E+03 -0.35553E-02 -0.20929E-03 300 0.113E-01 0.207E-01
DAV: 30 -0.383485164721E+03 -0.86780E-03 -0.10157E-03 404 0.146E-01 0.187E-01
DAV: 31 -0.383485369317E+03 -0.20460E-03 -0.11029E-03 372 0.100E-01 0.176E-01
DAV: 32 -0.383485431247E+03 -0.61930E-04 -0.22047E-04 324 0.445E-02 0.176E-01
DAV: 33 -0.383485358975E+03 0.72271E-04 -0.26329E-05 300 0.151E-02 0.176E-01
DAV: 34 -0.383485355510E+03 0.34656E-05 -0.48598E-06 212 0.550E-03
1 F= -.38348536E+03 E0= -.38350235E+03 d E =0.509903E-01