iterations/neb0_image08_iter18_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 0.150869803835E+04 0.15087E+04 -0.43554E+04 322 0.697E+02
DAV: 2 0.252554905046E+03 -0.12561E+04 -0.11787E+04 420 0.164E+02
DAV: 3 -0.357581031866E+03 -0.61014E+03 -0.60557E+03 356 0.117E+02
DAV: 4 -0.432821780241E+03 -0.75241E+02 -0.74896E+02 316 0.517E+01
DAV: 5 -0.434548614647E+03 -0.17268E+01 -0.17238E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.388612004274E+03 0.45937E+02 -0.14946E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385096737345E+03 0.35153E+01 -0.12368E+01 332 0.772E+00 0.104E+01
DAV: 8 -0.383683861379E+03 0.14129E+01 -0.24801E+00 332 0.389E+00 0.427E+00
DAV: 9 -0.383123072242E+03 0.56079E+00 -0.60177E-01 324 0.194E+00 0.965E-01
DAV: 10 -0.383070017681E+03 0.53055E-01 -0.16377E-01 340 0.966E-01 0.774E-01
DAV: 11 -0.383060940059E+03 0.90776E-02 -0.72889E-02 356 0.473E-01 0.701E-01
DAV: 12 -0.383041666687E+03 0.19273E-01 -0.47027E-02 316 0.398E-01 0.416E-01
DAV: 13 -0.383032720567E+03 0.89461E-02 -0.36550E-02 308 0.383E-01 0.430E-01
DAV: 14 -0.383031244960E+03 0.14756E-02 -0.23508E-02 324 0.234E-01 0.177E-01
DAV: 15 -0.383036766958E+03 -0.55220E-02 -0.66073E-03 292 0.245E-01 0.154E-01
DAV: 16 -0.383048754257E+03 -0.11987E-01 -0.54379E-03 324 0.203E-01 0.112E-01
DAV: 17 -0.383061689303E+03 -0.12935E-01 -0.30608E-03 292 0.150E-01 0.554E-02
DAV: 18 -0.383069697849E+03 -0.80085E-02 -0.11595E-03 316 0.874E-02 0.543E-02
DAV: 19 -0.383074941822E+03 -0.52440E-02 -0.36266E-04 348 0.503E-02 0.364E-02
DAV: 20 -0.383082420085E+03 -0.74783E-02 -0.45285E-04 300 0.450E-02 0.209E-02
DAV: 21 -0.383084745179E+03 -0.23251E-02 -0.88208E-05 316 0.212E-02 0.162E-02
DAV: 22 -0.383087454790E+03 -0.27096E-02 -0.15379E-04 308 0.260E-02 0.118E-02
DAV: 23 -0.383088605915E+03 -0.11511E-02 -0.47696E-05 276 0.139E-02 0.626E-03
DAV: 24 -0.383089459902E+03 -0.85399E-03 -0.50708E-05 284 0.151E-02 0.629E-03
DAV: 25 -0.383089657562E+03 -0.19766E-03 -0.55180E-06 228 0.613E-03 0.323E-03
DAV: 26 -0.383089848374E+03 -0.19081E-03 -0.95585E-06 204 0.719E-03 0.298E-03
DAV: 27 -0.383089946718E+03 -0.98344E-04 -0.30511E-06 228 0.377E-03 0.203E-03
DAV: 28 -0.383089999443E+03 -0.52725E-04 -0.24892E-06 212 0.393E-03 0.870E-04
DAV: 29 -0.383090030352E+03 -0.30909E-04 -0.15972E-06 220 0.283E-03 0.143E-03
DAV: 30 -0.383090041430E+03 -0.11078E-04 -0.54242E-07 228 0.149E-03 0.115E-03
DAV: 31 -0.383090048860E+03 -0.74301E-05 -0.68223E-07 220 0.258E-03
1 F= -.38309005E+03 E0= -.38310329E+03 d E =0.397361E-01