iterations/neb0_image02_iter71_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 0.147036426879E+04 0.14704E+04 -0.44199E+04 330 0.697E+02
DAV: 2 0.234970475971E+03 -0.12354E+04 -0.11628E+04 444 0.163E+02
DAV: 3 -0.352378987352E+03 -0.58735E+03 -0.58328E+03 336 0.114E+02
DAV: 4 -0.424135306907E+03 -0.71756E+02 -0.71465E+02 309 0.517E+01
DAV: 5 -0.425770570476E+03 -0.16353E+01 -0.16316E+01 327 0.803E+00 0.441E+01
DAV: 6 -0.375390433417E+03 0.50380E+02 -0.15818E+02 309 0.302E+01 0.213E+01
DAV: 7 -0.372052474967E+03 0.33380E+01 -0.13878E+01 336 0.817E+00 0.109E+01
DAV: 8 -0.370541911077E+03 0.15106E+01 -0.18775E+00 327 0.383E+00 0.449E+00
DAV: 9 -0.369985160122E+03 0.55675E+00 -0.13471E+00 318 0.212E+00 0.106E+00
DAV: 10 -0.369921232808E+03 0.63927E-01 -0.96289E-02 336 0.883E-01 0.836E-01
DAV: 11 -0.369895801291E+03 0.25432E-01 -0.25347E-01 354 0.827E-01 0.829E-01
DAV: 12 -0.369863590487E+03 0.32211E-01 -0.40629E-02 336 0.487E-01 0.346E-01
DAV: 13 -0.369856756919E+03 0.68336E-02 -0.28514E-02 309 0.398E-01 0.544E-01
DAV: 14 -0.369855955590E+03 0.80133E-03 -0.66789E-02 354 0.302E-01 0.407E-01
DAV: 15 -0.369862347874E+03 -0.63923E-02 -0.57165E-02 318 0.220E-01 0.423E-01
DAV: 16 -0.369872950369E+03 -0.10602E-01 -0.53769E-03 309 0.215E-01 0.186E-01
DAV: 17 -0.369883262845E+03 -0.10312E-01 -0.34964E-03 318 0.180E-01 0.637E-02
DAV: 18 -0.369891972399E+03 -0.87096E-02 -0.18259E-03 345 0.126E-01 0.102E-01
DAV: 19 -0.369896991168E+03 -0.50188E-02 -0.27489E-04 327 0.445E-02 0.858E-02
DAV: 20 -0.369904107108E+03 -0.71159E-02 -0.50720E-04 318 0.458E-02 0.261E-02
DAV: 21 -0.369906654868E+03 -0.25478E-02 -0.12691E-04 354 0.265E-02 0.356E-02
DAV: 22 -0.369908850941E+03 -0.21961E-02 -0.10070E-04 300 0.226E-02 0.182E-02
DAV: 23 -0.369910107660E+03 -0.12567E-02 -0.53015E-05 291 0.146E-02 0.106E-02
DAV: 24 -0.369910841497E+03 -0.73384E-03 -0.26006E-05 255 0.103E-02 0.879E-03
DAV: 25 -0.369911261291E+03 -0.41979E-03 -0.14257E-05 237 0.730E-03 0.972E-03
DAV: 26 -0.369911422615E+03 -0.16132E-03 -0.75312E-06 228 0.748E-03 0.720E-03
DAV: 27 -0.369911540109E+03 -0.11749E-03 -0.57535E-06 201 0.594E-03 0.626E-03
DAV: 28 -0.369911594265E+03 -0.54156E-04 -0.23329E-06 219 0.397E-03 0.195E-03
DAV: 29 -0.369911619565E+03 -0.25299E-04 -0.21509E-06 228 0.369E-03 0.397E-03
DAV: 30 -0.369911645269E+03 -0.25704E-04 -0.90587E-07 201 0.245E-03 0.119E-03
DAV: 31 -0.369911664652E+03 -0.19383E-04 -0.88980E-07 219 0.198E-03 0.166E-03
DAV: 32 -0.369911671315E+03 -0.66637E-05 -0.28787E-07 228 0.132E-03
1 F= -.36991167E+03 E0= -.36992333E+03 d E =0.349617E-01