./iterations/neb0_image06_iter18_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145133774005E+04 0.14513E+04 -0.44228E+04 330 0.697E+02
DAV: 2 0.227730554322E+03 -0.12236E+04 -0.11473E+04 426 0.163E+02
DAV: 3 -0.365450405957E+03 -0.59318E+03 -0.58988E+03 354 0.114E+02
DAV: 4 -0.433268875817E+03 -0.67818E+02 -0.67565E+02 318 0.490E+01
DAV: 5 -0.434753284456E+03 -0.14844E+01 -0.14819E+01 318 0.757E+00 0.427E+01
DAV: 6 -0.388881292768E+03 0.45872E+02 -0.14853E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385434283823E+03 0.34470E+01 -0.13152E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.383957938580E+03 0.14763E+01 -0.18311E+00 336 0.380E+00 0.426E+00
DAV: 9 -0.383420094378E+03 0.53784E+00 -0.10739E+00 336 0.205E+00 0.100E+00
DAV: 10 -0.383360073057E+03 0.60021E-01 -0.14295E-01 327 0.912E-01 0.885E-01
DAV: 11 -0.383337629452E+03 0.22444E-01 -0.13525E-01 336 0.575E-01 0.825E-01
DAV: 12 -0.383323706389E+03 0.13923E-01 -0.14572E-01 381 0.645E-01 0.102E+00
DAV: 13 -0.383297644882E+03 0.26062E-01 -0.15113E-01 372 0.499E-01 0.331E-01
DAV: 14 -0.383289206991E+03 0.84379E-02 -0.18266E-02 309 0.404E-01 0.316E-01
DAV: 15 -0.383290610940E+03 -0.14039E-02 -0.13081E-02 318 0.308E-01 0.168E-01
DAV: 16 -0.383297640796E+03 -0.70299E-02 -0.43990E-03 327 0.198E-01 0.221E-01
DAV: 17 -0.383311498822E+03 -0.13858E-01 -0.12294E-02 291 0.245E-01 0.188E-01
DAV: 18 -0.383316936897E+03 -0.54381E-02 -0.22738E-03 318 0.137E-01 0.127E-01
DAV: 19 -0.383323662120E+03 -0.67252E-02 -0.12169E-03 318 0.943E-02 0.530E-02
DAV: 20 -0.383330388308E+03 -0.67262E-02 -0.38124E-04 318 0.490E-02 0.408E-02
DAV: 21 -0.383336041084E+03 -0.56528E-02 -0.42035E-04 327 0.389E-02 0.392E-02
DAV: 22 -0.383339409075E+03 -0.33680E-02 -0.22575E-04 309 0.287E-02 0.144E-02
DAV: 23 -0.383341928827E+03 -0.25198E-02 -0.16471E-04 309 0.223E-02 0.114E-02
DAV: 24 -0.383342688926E+03 -0.76010E-03 -0.26301E-05 255 0.990E-03 0.504E-03
DAV: 25 -0.383343360800E+03 -0.67187E-03 -0.30738E-05 264 0.993E-03 0.739E-03
DAV: 26 -0.383343566843E+03 -0.20604E-03 -0.61724E-06 228 0.505E-03 0.196E-03
DAV: 27 -0.383343707056E+03 -0.14021E-03 -0.50734E-06 201 0.453E-03 0.233E-03
DAV: 28 -0.383343749256E+03 -0.42201E-04 -0.16535E-06 228 0.273E-03 0.118E-03
DAV: 29 -0.383343783137E+03 -0.33881E-04 -0.12794E-06 192 0.235E-03 0.126E-03
DAV: 30 -0.383343804916E+03 -0.21779E-04 -0.10247E-06 210 0.186E-03 0.676E-04
DAV: 31 -0.383343812402E+03 -0.74862E-05 -0.38044E-07 228 0.120E-03
1 F= -.38334381E+03 E0= -.38335719E+03 d E =0.401246E-01