iterations/neb0_image01_iter24_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 0.144725324454E+04 0.14473E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224147142209E+03 -0.12231E+04 -0.11460E+04 435 0.163E+02
DAV: 3 -0.363089257026E+03 -0.58724E+03 -0.58380E+03 345 0.114E+02
DAV: 4 -0.433518454504E+03 -0.70429E+02 -0.70154E+02 318 0.508E+01
DAV: 5 -0.435090646092E+03 -0.15722E+01 -0.15697E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389102814182E+03 0.45988E+02 -0.14808E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385629870637E+03 0.34729E+01 -0.13545E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384152274871E+03 0.14776E+01 -0.21186E+00 327 0.382E+00 0.433E+00
DAV: 9 -0.383610013151E+03 0.54226E+00 -0.17342E+00 336 0.242E+00 0.137E+00
DAV: 10 -0.383540217870E+03 0.69795E-01 -0.28705E-01 318 0.113E+00 0.105E+00
DAV: 11 -0.383519630323E+03 0.20588E-01 -0.28775E-01 354 0.644E-01 0.995E-01
DAV: 12 -0.383493111300E+03 0.26519E-01 -0.22670E-01 327 0.700E-01 0.916E-01
DAV: 13 -0.383476824849E+03 0.16286E-01 -0.17878E-01 363 0.545E-01 0.678E-01
DAV: 14 -0.383464458832E+03 0.12366E-01 -0.21545E-02 354 0.385E-01 0.329E-01
DAV: 15 -0.383461914023E+03 0.25448E-02 -0.12983E-02 309 0.379E-01 0.193E-01
DAV: 16 -0.383468146538E+03 -0.62325E-02 -0.63256E-03 327 0.251E-01 0.194E-01
DAV: 17 -0.383476000948E+03 -0.78544E-02 -0.29900E-03 309 0.186E-01 0.172E-01
DAV: 18 -0.383482259554E+03 -0.62586E-02 -0.27938E-03 354 0.158E-01 0.122E-01
DAV: 19 -0.383490671617E+03 -0.84121E-02 -0.32057E-03 345 0.132E-01 0.142E-01
DAV: 20 -0.383490545689E+03 0.12593E-03 -0.29787E-03 336 0.812E-02 0.958E-02
DAV: 21 -0.383497920303E+03 -0.73746E-02 -0.66259E-04 300 0.758E-02 0.778E-02
DAV: 22 -0.383502402695E+03 -0.44824E-02 -0.58460E-04 327 0.533E-02 0.446E-02
DAV: 23 -0.383505912511E+03 -0.35098E-02 -0.19550E-04 309 0.340E-02 0.401E-02
DAV: 24 -0.383509918960E+03 -0.40064E-02 -0.22001E-04 300 0.344E-02 0.390E-02
DAV: 25 -0.383511271953E+03 -0.13530E-02 -0.72287E-05 318 0.190E-02 0.240E-02
DAV: 26 -0.383512081776E+03 -0.80982E-03 -0.59534E-05 318 0.158E-02 0.129E-02
DAV: 27 -0.383513124762E+03 -0.10430E-02 -0.51733E-05 318 0.145E-02 0.154E-02
DAV: 28 -0.383513585320E+03 -0.46056E-03 -0.24417E-05 264 0.951E-03 0.861E-03
DAV: 29 -0.383513756362E+03 -0.17104E-03 -0.82239E-06 228 0.700E-03 0.470E-03
DAV: 30 -0.383513903016E+03 -0.14665E-03 -0.53734E-06 192 0.493E-03 0.190E-03
DAV: 31 -0.383513969625E+03 -0.66609E-04 -0.27469E-06 228 0.318E-03 0.216E-03
DAV: 32 -0.383514000290E+03 -0.30664E-04 -0.12275E-06 228 0.228E-03 0.144E-03
DAV: 33 -0.383514027705E+03 -0.27415E-04 -0.11835E-06 210 0.192E-03 0.115E-03
DAV: 34 -0.383514035692E+03 -0.79868E-05 -0.39403E-07 228 0.137E-03
1 F= -.38351404E+03 E0= -.38353070E+03 d E =0.499948E-01