iterations/neb0_image03_iter24_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161850568136E+04 0.16185E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297635577328E+03 -0.13209E+04 -0.12436E+04 420 0.168E+02
DAV: 3 -0.362736658454E+03 -0.66037E+03 -0.65724E+03 372 0.123E+02
DAV: 4 -0.433652589610E+03 -0.70916E+02 -0.70658E+02 316 0.506E+01
DAV: 5 -0.435161476441E+03 -0.15089E+01 -0.15067E+01 324 0.768E+00 0.427E+01
DAV: 6 -0.389103665023E+03 0.46058E+02 -0.15073E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385598429676E+03 0.35052E+01 -0.12402E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384160147077E+03 0.14383E+01 -0.27276E+00 340 0.389E+00 0.434E+00
DAV: 9 -0.383601588298E+03 0.55856E+00 -0.84939E-01 324 0.202E+00 0.115E+00
DAV: 10 -0.383537696334E+03 0.63892E-01 -0.33975E-01 340 0.105E+00 0.852E-01
DAV: 11 -0.383508170428E+03 0.29526E-01 -0.35569E-02 316 0.498E-01 0.619E-01
DAV: 12 -0.383499438322E+03 0.87321E-02 -0.21671E-01 372 0.637E-01 0.999E-01
DAV: 13 -0.383483306524E+03 0.16132E-01 -0.27090E-01 324 0.489E-01 0.664E-01
DAV: 14 -0.383479119612E+03 0.41869E-02 -0.44390E-02 348 0.274E-01 0.296E-01
DAV: 15 -0.383484495591E+03 -0.53760E-02 -0.43326E-02 332 0.309E-01 0.459E-01
DAV: 16 -0.383489500460E+03 -0.50049E-02 -0.20652E-02 308 0.240E-01 0.192E-01
DAV: 17 -0.383501577487E+03 -0.12077E-01 -0.89972E-03 300 0.196E-01 0.170E-01
DAV: 18 -0.383511795324E+03 -0.10218E-01 -0.15365E-03 316 0.116E-01 0.144E-01
DAV: 19 -0.383519127855E+03 -0.73325E-02 -0.81279E-04 308 0.733E-02 0.129E-01
DAV: 20 -0.383528419284E+03 -0.92914E-02 -0.23161E-03 348 0.916E-02 0.609E-02
DAV: 21 -0.383532252895E+03 -0.38336E-02 -0.33011E-04 300 0.451E-02 0.364E-02
DAV: 22 -0.383534337777E+03 -0.20849E-02 -0.11305E-04 332 0.236E-02 0.301E-02
DAV: 23 -0.383537394143E+03 -0.30564E-02 -0.19940E-04 300 0.289E-02 0.328E-02
DAV: 24 -0.383538575394E+03 -0.11813E-02 -0.82990E-05 292 0.197E-02 0.868E-03
DAV: 25 -0.383539222439E+03 -0.64705E-03 -0.25617E-05 268 0.114E-02 0.566E-03
DAV: 26 -0.383539786442E+03 -0.56400E-03 -0.27739E-05 260 0.106E-02 0.468E-03
DAV: 27 -0.383540026914E+03 -0.24047E-03 -0.78247E-06 228 0.626E-03 0.278E-03
DAV: 28 -0.383540108054E+03 -0.81140E-04 -0.53135E-06 228 0.584E-03 0.259E-03
DAV: 29 -0.383540169977E+03 -0.61924E-04 -0.21685E-06 196 0.358E-03 0.147E-03
DAV: 30 -0.383540217457E+03 -0.47479E-04 -0.21301E-06 212 0.276E-03 0.159E-03
DAV: 31 -0.383540236877E+03 -0.19420E-04 -0.10089E-06 220 0.215E-03 0.735E-04
DAV: 32 -0.383540248702E+03 -0.11825E-04 -0.52621E-07 220 0.157E-03 0.815E-04
DAV: 33 -0.383540253812E+03 -0.51095E-05 -0.30347E-07 212 0.135E-03
1 F= -.38354025E+03 E0= -.38355346E+03 d E =0.396054E-01