iterations/neb0_image09_iter74_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.149490765125E+04 0.14949E+04 -0.44579E+04 330 0.697E+02
DAV: 2 0.249691568073E+03 -0.12452E+04 -0.11715E+04 426 0.165E+02
DAV: 3 -0.351124159002E+03 -0.60082E+03 -0.59625E+03 336 0.116E+02
DAV: 4 -0.426356563241E+03 -0.75232E+02 -0.74915E+02 309 0.528E+01
DAV: 5 -0.428090380360E+03 -0.17338E+01 -0.17293E+01 318 0.827E+00 0.460E+01
DAV: 6 -0.375165220376E+03 0.52925E+02 -0.15816E+02 309 0.304E+01 0.229E+01
DAV: 7 -0.370747080122E+03 0.44181E+01 -0.16703E+01 327 0.968E+00 0.111E+01
DAV: 8 -0.369215540857E+03 0.15315E+01 -0.23360E+00 327 0.440E+00 0.478E+00
DAV: 9 -0.368574486177E+03 0.64105E+00 -0.90174E-01 336 0.240E+00 0.122E+00
DAV: 10 -0.368518207020E+03 0.56279E-01 -0.53229E-01 345 0.120E+00 0.828E-01
DAV: 11 -0.368482986411E+03 0.35221E-01 -0.39885E-02 318 0.544E-01 0.529E-01
DAV: 12 -0.368451929792E+03 0.31057E-01 -0.26889E-02 318 0.428E-01 0.286E-01
DAV: 13 -0.368440520710E+03 0.11409E-01 -0.16335E-02 336 0.411E-01 0.180E-01
DAV: 14 -0.368444951840E+03 -0.44311E-02 -0.13003E-02 327 0.384E-01 0.122E-01
DAV: 15 -0.368459235362E+03 -0.14284E-01 -0.60426E-03 318 0.239E-01 0.779E-02
DAV: 16 -0.368468118073E+03 -0.88827E-02 -0.16721E-03 345 0.114E-01 0.553E-02
DAV: 17 -0.368477330374E+03 -0.92123E-02 -0.68318E-04 318 0.726E-02 0.344E-02
DAV: 18 -0.368485246655E+03 -0.79163E-02 -0.57809E-04 354 0.637E-02 0.244E-02
DAV: 19 -0.368491383615E+03 -0.61370E-02 -0.39427E-04 309 0.461E-02 0.132E-02
DAV: 20 -0.368493520266E+03 -0.21367E-02 -0.11757E-04 327 0.257E-02 0.110E-02
DAV: 21 -0.368495214537E+03 -0.16943E-02 -0.89046E-05 291 0.209E-02 0.567E-03
DAV: 22 -0.368495733443E+03 -0.51891E-03 -0.22047E-05 264 0.113E-02 0.450E-03
DAV: 23 -0.368496093403E+03 -0.35996E-03 -0.11038E-05 219 0.102E-02 0.246E-03
DAV: 24 -0.368496263881E+03 -0.17048E-03 -0.72549E-06 219 0.619E-03 0.260E-03
DAV: 25 -0.368496355517E+03 -0.91636E-04 -0.36139E-06 219 0.607E-03 0.127E-03
DAV: 26 -0.368496425130E+03 -0.69614E-04 -0.37672E-06 210 0.447E-03 0.188E-03
DAV: 27 -0.368496441226E+03 -0.16096E-04 -0.13292E-06 228 0.316E-03 0.104E-03
DAV: 28 -0.368496459198E+03 -0.17971E-04 -0.14993E-06 201 0.323E-03 0.114E-03
DAV: 29 -0.368496464504E+03 -0.53063E-05 -0.45279E-07 219 0.185E-03
1 F= -.36849646E+03 E0= -.36850045E+03 d E =0.119699E-01