iterations/neb0_image08_iter67_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 0.147740308446E+04 0.14774E+04 -0.44362E+04 330 0.697E+02
DAV: 2 0.240840576041E+03 -0.12366E+04 -0.11601E+04 417 0.164E+02
DAV: 3 -0.359121135728E+03 -0.59996E+03 -0.59667E+03 345 0.116E+02
DAV: 4 -0.429042907807E+03 -0.69922E+02 -0.69649E+02 300 0.508E+01
DAV: 5 -0.430609894570E+03 -0.15670E+01 -0.15639E+01 327 0.788E+00 0.442E+01
DAV: 6 -0.380638963289E+03 0.49971E+02 -0.15749E+02 309 0.299E+01 0.217E+01
DAV: 7 -0.376839928689E+03 0.37990E+01 -0.14684E+01 336 0.859E+00 0.108E+01
DAV: 8 -0.375349113404E+03 0.14908E+01 -0.20499E+00 336 0.396E+00 0.456E+00
DAV: 9 -0.374741505074E+03 0.60761E+00 -0.93055E-01 327 0.219E+00 0.980E-01
DAV: 10 -0.374680075424E+03 0.61430E-01 -0.10793E-01 336 0.866E-01 0.747E-01
DAV: 11 -0.374641461646E+03 0.38614E-01 -0.36676E-02 318 0.482E-01 0.399E-01
DAV: 12 -0.374617570162E+03 0.23891E-01 -0.17185E-02 345 0.421E-01 0.251E-01
DAV: 13 -0.374611377535E+03 0.61926E-02 -0.19122E-02 327 0.479E-01 0.196E-01
DAV: 14 -0.374620439465E+03 -0.90619E-02 -0.81682E-03 327 0.300E-01 0.247E-01
DAV: 15 -0.374622742544E+03 -0.23031E-02 -0.48340E-03 354 0.161E-01 0.219E-01
DAV: 16 -0.374630481719E+03 -0.77392E-02 -0.38059E-03 291 0.190E-01 0.116E-01
DAV: 17 -0.374637565637E+03 -0.70839E-02 -0.27864E-03 336 0.153E-01 0.148E-01
DAV: 18 -0.374644658257E+03 -0.70926E-02 -0.20335E-03 390 0.156E-01 0.630E-02
DAV: 19 -0.374650418146E+03 -0.57599E-02 -0.81073E-04 318 0.959E-02 0.635E-02
DAV: 20 -0.374651882990E+03 -0.14648E-02 -0.24678E-04 327 0.418E-02 0.505E-02
DAV: 21 -0.374657520377E+03 -0.56374E-02 -0.45976E-04 291 0.595E-02 0.560E-02
DAV: 22 -0.374658234293E+03 -0.71392E-03 -0.99029E-05 327 0.258E-02 0.195E-02
DAV: 23 -0.374661246791E+03 -0.30125E-02 -0.16899E-04 291 0.269E-02 0.132E-02
DAV: 24 -0.374663193505E+03 -0.19467E-02 -0.10209E-04 309 0.184E-02 0.152E-02
DAV: 25 -0.374663781388E+03 -0.58788E-03 -0.22414E-05 255 0.125E-02 0.963E-03
DAV: 26 -0.374664182322E+03 -0.40093E-03 -0.16172E-05 210 0.976E-03 0.767E-03
DAV: 27 -0.374664398406E+03 -0.21608E-03 -0.71696E-06 219 0.556E-03 0.653E-03
DAV: 28 -0.374664505600E+03 -0.10719E-03 -0.60675E-06 219 0.613E-03 0.228E-03
DAV: 29 -0.374664556493E+03 -0.50892E-04 -0.22198E-06 201 0.372E-03 0.203E-03
DAV: 30 -0.374664578448E+03 -0.21955E-04 -0.11638E-06 219 0.245E-03 0.107E-03
DAV: 31 -0.374664600087E+03 -0.21640E-04 -0.78786E-07 201 0.188E-03 0.631E-04
DAV: 32 -0.374664615740E+03 -0.15653E-04 -0.57108E-07 219 0.149E-03 0.628E-04
DAV: 33 -0.374664618483E+03 -0.27430E-05 -0.23733E-07 228 0.118E-03
1 F= -.37466462E+03 E0= -.37467744E+03 d E =0.384772E-01