iterations/neb0_image08_iter51_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 0.144221916565E+04 0.14422E+04 -0.44196E+04 330 0.697E+02
DAV: 2 0.227109921492E+03 -0.12151E+04 -0.11413E+04 426 0.163E+02
DAV: 3 -0.364631493731E+03 -0.59174E+03 -0.58828E+03 363 0.114E+02
DAV: 4 -0.429842213858E+03 -0.65211E+02 -0.64946E+02 309 0.472E+01
DAV: 5 -0.431271426701E+03 -0.14292E+01 -0.14265E+01 327 0.734E+00 0.423E+01
DAV: 6 -0.386166040305E+03 0.45105E+02 -0.14832E+02 309 0.286E+01 0.207E+01
DAV: 7 -0.382805849422E+03 0.33602E+01 -0.12008E+01 336 0.772E+00 0.103E+01
DAV: 8 -0.381385213465E+03 0.14206E+01 -0.18160E+00 336 0.374E+00 0.415E+00
DAV: 9 -0.380832800904E+03 0.55241E+00 -0.62505E-01 327 0.182E+00 0.113E+00
DAV: 10 -0.380788860559E+03 0.43940E-01 -0.45734E-01 372 0.102E+00 0.698E-01
DAV: 11 -0.380757175294E+03 0.31685E-01 -0.29840E-02 309 0.498E-01 0.467E-01
DAV: 12 -0.380728867639E+03 0.28308E-01 -0.25586E-02 318 0.474E-01 0.223E-01
DAV: 13 -0.380723186030E+03 0.56816E-02 -0.14147E-02 327 0.401E-01 0.170E-01
DAV: 14 -0.380733029217E+03 -0.98432E-02 -0.10092E-02 300 0.343E-01 0.113E-01
DAV: 15 -0.380743400855E+03 -0.10372E-01 -0.44754E-03 327 0.217E-01 0.776E-02
DAV: 16 -0.380751766562E+03 -0.83657E-02 -0.17914E-03 327 0.118E-01 0.527E-02
DAV: 17 -0.380760890343E+03 -0.91238E-02 -0.48211E-04 336 0.557E-02 0.326E-02
DAV: 18 -0.380767709249E+03 -0.68189E-02 -0.35611E-04 327 0.468E-02 0.213E-02
DAV: 19 -0.380774095535E+03 -0.63863E-02 -0.47122E-04 309 0.444E-02 0.125E-02
DAV: 20 -0.380775790938E+03 -0.16954E-02 -0.62622E-05 309 0.172E-02 0.932E-03
DAV: 21 -0.380777616803E+03 -0.18259E-02 -0.11304E-04 282 0.217E-02 0.636E-03
DAV: 22 -0.380777973665E+03 -0.35686E-03 -0.91248E-06 228 0.811E-03 0.427E-03
DAV: 23 -0.380778358435E+03 -0.38477E-03 -0.25764E-05 255 0.118E-02 0.509E-03
DAV: 24 -0.380778437842E+03 -0.79407E-04 -0.22197E-06 219 0.547E-03 0.372E-03
DAV: 25 -0.380778521758E+03 -0.83916E-04 -0.52706E-06 219 0.666E-03 0.175E-03
DAV: 26 -0.380778591559E+03 -0.69800E-04 -0.19634E-06 210 0.365E-03 0.115E-03
DAV: 27 -0.380778624195E+03 -0.32636E-04 -0.12429E-06 219 0.237E-03 0.957E-04
DAV: 28 -0.380778637616E+03 -0.13421E-04 -0.51407E-07 228 0.159E-03 0.529E-04
DAV: 29 -0.380778647713E+03 -0.10096E-04 -0.39185E-07 210 0.134E-03 0.348E-04
DAV: 30 -0.380778652552E+03 -0.48393E-05 -0.17453E-07 228 0.827E-04
1 F= -.38077865E+03 E0= -.38078254E+03 d E =0.116530E-01