iterations/neb0_image02_iter5_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161785862312E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296704328653E+03 -0.13212E+04 -0.12438E+04 420 0.168E+02
DAV: 3 -0.358039741280E+03 -0.65474E+03 -0.65104E+03 364 0.123E+02
DAV: 4 -0.433480735225E+03 -0.75441E+02 -0.75128E+02 316 0.520E+01
DAV: 5 -0.435191820796E+03 -0.17111E+01 -0.17084E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389124503709E+03 0.46067E+02 -0.15035E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607080178E+03 0.35174E+01 -0.12441E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384159145410E+03 0.14479E+01 -0.24407E+00 332 0.382E+00 0.431E+00
DAV: 9 -0.383608013393E+03 0.55113E+00 -0.99614E-01 324 0.204E+00 0.110E+00
DAV: 10 -0.383533342503E+03 0.74671E-01 -0.14572E-01 332 0.956E-01 0.776E-01
DAV: 11 -0.383509746351E+03 0.23596E-01 -0.36279E-02 324 0.472E-01 0.539E-01
DAV: 12 -0.383495296128E+03 0.14450E-01 -0.11986E-01 316 0.522E-01 0.544E-01
DAV: 13 -0.383485696138E+03 0.96000E-02 -0.19175E-02 316 0.331E-01 0.366E-01
DAV: 14 -0.383488446658E+03 -0.27505E-02 -0.28590E-02 332 0.274E-01 0.357E-01
DAV: 15 -0.383488905733E+03 -0.45908E-03 -0.11150E-02 292 0.260E-01 0.174E-01
DAV: 16 -0.383498182837E+03 -0.92771E-02 -0.66152E-03 316 0.214E-01 0.118E-01
DAV: 17 -0.383512106229E+03 -0.13923E-01 -0.50351E-03 292 0.207E-01 0.225E-01
DAV: 18 -0.383513679982E+03 -0.15738E-02 -0.23643E-03 324 0.103E-01 0.880E-02
DAV: 19 -0.383519194950E+03 -0.55150E-02 -0.10178E-03 268 0.585E-02 0.797E-02
DAV: 20 -0.383527561461E+03 -0.83665E-02 -0.10121E-03 308 0.634E-02 0.597E-02
DAV: 21 -0.383532049222E+03 -0.44878E-02 -0.40835E-04 316 0.466E-02 0.445E-02
DAV: 22 -0.383537865104E+03 -0.58159E-02 -0.41201E-04 308 0.428E-02 0.229E-02
DAV: 23 -0.383539810885E+03 -0.19458E-02 -0.92433E-05 316 0.201E-02 0.220E-02
DAV: 24 -0.383541774190E+03 -0.19633E-02 -0.15967E-04 300 0.245E-02 0.105E-02
DAV: 25 -0.383542367851E+03 -0.59366E-03 -0.26663E-05 268 0.115E-02 0.955E-03
DAV: 26 -0.383542792441E+03 -0.42459E-03 -0.12062E-05 220 0.754E-03 0.830E-03
DAV: 27 -0.383543279413E+03 -0.48697E-03 -0.29723E-05 260 0.102E-02 0.634E-03
DAV: 28 -0.383543432545E+03 -0.15313E-03 -0.50112E-06 228 0.532E-03 0.273E-03
DAV: 29 -0.383543495255E+03 -0.62710E-04 -0.23780E-06 228 0.294E-03 0.238E-03
DAV: 30 -0.383543542067E+03 -0.46812E-04 -0.14908E-06 212 0.242E-03 0.107E-03
DAV: 31 -0.383543582557E+03 -0.40490E-04 -0.16062E-06 220 0.236E-03 0.176E-03
DAV: 32 -0.383543597422E+03 -0.14864E-04 -0.72094E-07 220 0.201E-03 0.123E-03
DAV: 33 -0.383543603728E+03 -0.63066E-05 -0.48078E-07 228 0.162E-03
1 F= -.38354360E+03 E0= -.38356084E+03 d E =0.517061E-01