iterations/neb0_image06_iter8_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 0.145161362591E+04 0.14516E+04 -0.44228E+04 330 0.697E+02
DAV: 2 0.227954674875E+03 -0.12237E+04 -0.11476E+04 426 0.163E+02
DAV: 3 -0.365388532540E+03 -0.59334E+03 -0.59003E+03 354 0.114E+02
DAV: 4 -0.433230629293E+03 -0.67842E+02 -0.67589E+02 318 0.490E+01
DAV: 5 -0.434713963832E+03 -0.14833E+01 -0.14809E+01 318 0.757E+00 0.427E+01
DAV: 6 -0.388833609508E+03 0.45880E+02 -0.14839E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385386048753E+03 0.34476E+01 -0.13290E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.383941181270E+03 0.14449E+01 -0.22242E+00 336 0.389E+00 0.438E+00
DAV: 9 -0.383400609726E+03 0.54057E+00 -0.17140E+00 354 0.244E+00 0.136E+00
DAV: 10 -0.383327046349E+03 0.73563E-01 -0.34456E-01 336 0.120E+00 0.110E+00
DAV: 11 -0.383303343510E+03 0.23703E-01 -0.12504E-01 336 0.672E-01 0.744E-01
DAV: 12 -0.383274378448E+03 0.28965E-01 -0.29989E-02 327 0.455E-01 0.477E-01
DAV: 13 -0.383255516701E+03 0.18862E-01 -0.33025E-02 363 0.563E-01 0.604E-01
DAV: 14 -0.383252002159E+03 0.35145E-02 -0.31823E-02 345 0.414E-01 0.354E-01
DAV: 15 -0.383253594904E+03 -0.15927E-02 -0.34639E-02 309 0.322E-01 0.414E-01
DAV: 16 -0.383252639566E+03 0.95534E-03 -0.13256E-02 300 0.300E-01 0.206E-01
DAV: 17 -0.383258235099E+03 -0.55955E-02 -0.56350E-03 318 0.207E-01 0.224E-01
DAV: 18 -0.383268062127E+03 -0.98270E-02 -0.23499E-03 282 0.156E-01 0.113E-01
DAV: 19 -0.383276288916E+03 -0.82268E-02 -0.16012E-03 300 0.123E-01 0.624E-02
DAV: 20 -0.383285535339E+03 -0.92464E-02 -0.13140E-03 345 0.120E-01 0.477E-02
DAV: 21 -0.383290029038E+03 -0.44937E-02 -0.45103E-04 327 0.621E-02 0.462E-02
DAV: 22 -0.383292652188E+03 -0.26231E-02 -0.95714E-05 318 0.264E-02 0.397E-02
DAV: 23 -0.383297643155E+03 -0.49910E-02 -0.44490E-04 300 0.420E-02 0.267E-02
DAV: 24 -0.383299188595E+03 -0.15454E-02 -0.83252E-05 318 0.187E-02 0.209E-02
DAV: 25 -0.383299786769E+03 -0.59817E-03 -0.18111E-05 255 0.114E-02 0.124E-02
DAV: 26 -0.383300507817E+03 -0.72105E-03 -0.46331E-05 282 0.145E-02 0.608E-03
DAV: 27 -0.383300799579E+03 -0.29176E-03 -0.57274E-06 228 0.651E-03 0.546E-03
DAV: 28 -0.383300994363E+03 -0.19478E-03 -0.74300E-06 210 0.488E-03 0.572E-03
DAV: 29 -0.383301069438E+03 -0.75076E-04 -0.26853E-06 237 0.424E-03 0.299E-03
DAV: 30 -0.383301132256E+03 -0.62818E-04 -0.26344E-06 192 0.377E-03 0.140E-03
DAV: 31 -0.383301147689E+03 -0.15433E-04 -0.78408E-07 228 0.201E-03 0.107E-03
DAV: 32 -0.383301167592E+03 -0.19904E-04 -0.78186E-07 210 0.189E-03 0.110E-03
DAV: 33 -0.383301173973E+03 -0.63811E-05 -0.32078E-07 228 0.152E-03
1 F= -.38330117E+03 E0= -.38331777E+03 d E =0.497811E-01