iterations/neb0_image08_iter42_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 0.137638408325E+04 0.13764E+04 -0.43619E+04 330 0.696E+02
DAV: 2 0.229640532420E+03 -0.11467E+04 -0.10801E+04 408 0.160E+02
DAV: 3 -0.307641540319E+03 -0.53728E+03 -0.52885E+03 354 0.111E+02
DAV: 4 -0.381095732245E+03 -0.73454E+02 -0.72037E+02 309 0.484E+01
DAV: 5 -0.383306343950E+03 -0.22106E+01 -0.21217E+01 318 0.846E+00 0.414E+01
DAV: 6 -0.355217348874E+03 0.28089E+02 -0.22788E+02 309 0.305E+01 0.341E+01
DAV: 7 -0.353457276508E+03 0.17601E+01 -0.17397E+02 354 0.158E+01 0.266E+01
DAV: 8 -0.344271166344E+03 0.91861E+01 -0.27145E+01 336 0.113E+01 0.207E+01
DAV: 9 -0.340822259749E+03 0.34489E+01 -0.70335E+01 309 0.807E+00 0.172E+01
DAV: 10 -0.339841098853E+03 0.98116E+00 -0.20508E+01 372 0.588E+00 0.139E+01
DAV: 11 -0.337960684348E+03 0.18804E+01 -0.17732E+01 354 0.419E+00 0.112E+01
DAV: 12 -0.337499344749E+03 0.46134E+00 -0.99589E+00 363 0.254E+00 0.940E+00
DAV: 13 -0.336943371331E+03 0.55597E+00 -0.17961E+00 318 0.136E+00 0.587E+00
DAV: 14 -0.336911066415E+03 0.32305E-01 -0.13203E-01 345 0.708E-01 0.622E+00
DAV: 15 -0.336873944540E+03 0.37122E-01 -0.85083E-02 354 0.684E-01 0.586E+00
DAV: 16 -0.338326811627E+03 -0.14529E+01 -0.14655E+01 345 0.270E+00 0.195E+01
DAV: 17 -0.337207932804E+03 0.11189E+01 -0.42607E+00 309 0.138E+00 0.134E+01
DAV: 18 -0.336643826090E+03 0.56411E+00 -0.40933E-01 363 0.995E-01 0.972E+00
DAV: 19 -0.336493953822E+03 0.14987E+00 -0.49469E-02 327 0.578E-01 0.724E+00
DAV: 20 -0.336461760712E+03 0.32193E-01 -0.22229E-01 309 0.373E-01 0.398E+00
DAV: 21 -0.336503245093E+03 -0.41484E-01 -0.61316E-02 309 0.463E-01 0.103E+00
DAV: 22 -0.336574358756E+03 -0.71114E-01 -0.11066E-01 345 0.521E-01 0.193E+00
DAV: 23 -0.336567550488E+03 0.68083E-02 -0.13911E-02 309 0.274E-01 0.243E+00
DAV: 24 -0.336550529493E+03 0.17021E-01 -0.37531E-02 327 0.194E-01 0.115E+00
DAV: 25 -0.336590012746E+03 -0.39483E-01 -0.58679E-02 372 0.387E-01 0.330E+00
DAV: 26 -0.336571532062E+03 0.18481E-01 -0.64666E-03 309 0.269E-01 0.303E+00
DAV: 27 -0.336557301610E+03 0.14230E-01 -0.28424E-02 381 0.277E-01 0.952E-01
DAV: 28 -0.336583677485E+03 -0.26376E-01 -0.15482E-02 309 0.233E-01 0.931E-01
DAV: 29 -0.336589893361E+03 -0.62159E-02 -0.41946E-03 300 0.172E-01 0.458E-01
DAV: 30 -0.336596651877E+03 -0.67585E-02 -0.16173E-03 309 0.114E-01 0.201E-01
DAV: 31 -0.336601243798E+03 -0.45919E-02 -0.78390E-04 354 0.715E-02 0.324E-01
DAV: 32 -0.336603442383E+03 -0.21986E-02 -0.69668E-04 300 0.468E-02 0.149E-01
DAV: 33 -0.336605927185E+03 -0.24848E-02 -0.20298E-04 318 0.349E-02 0.691E-02
DAV: 34 -0.336607338510E+03 -0.14113E-02 -0.92643E-05 309 0.218E-02 0.104E-01
DAV: 35 -0.336608143348E+03 -0.80484E-03 -0.64012E-05 273 0.172E-02 0.316E-02
DAV: 36 -0.336608838749E+03 -0.69540E-03 -0.44613E-05 273 0.139E-02 0.615E-02
DAV: 37 -0.336609267813E+03 -0.42906E-03 -0.18498E-05 228 0.923E-03 0.388E-02
DAV: 38 -0.336609462705E+03 -0.19489E-03 -0.74576E-06 237 0.554E-03 0.528E-02
DAV: 39 -0.336609635985E+03 -0.17328E-03 -0.13682E-05 228 0.813E-03 0.740E-03
DAV: 40 -0.336609713467E+03 -0.77482E-04 -0.40573E-06 219 0.540E-03 0.518E-03
DAV: 41 -0.336609753228E+03 -0.39761E-04 -0.23554E-06 192 0.379E-03 0.140E-02
DAV: 42 -0.336609772647E+03 -0.19419E-04 -0.10081E-06 210 0.240E-03 0.111E-02
DAV: 43 -0.336609786284E+03 -0.13637E-04 -0.58401E-07 201 0.176E-03 0.106E-02
DAV: 44 -0.336609798993E+03 -0.12709E-04 -0.59922E-07 201 0.167E-03 0.399E-03
DAV: 45 -0.336609808535E+03 -0.95423E-05 -0.37520E-07 210 0.123E-03
1 F= -.33660981E+03 E0= -.33659559E+03 d E =-.426520E-01