iterations/neb0_image06_iter65_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 0.144822075050E+04 0.14482E+04 -0.44235E+04 330 0.697E+02
DAV: 2 0.231090413879E+03 -0.12171E+04 -0.11403E+04 417 0.163E+02
DAV: 3 -0.363483292119E+03 -0.59457E+03 -0.59108E+03 354 0.114E+02
DAV: 4 -0.432792857078E+03 -0.69310E+02 -0.69043E+02 309 0.498E+01
DAV: 5 -0.434349278843E+03 -0.15564E+01 -0.15537E+01 336 0.772E+00 0.427E+01
DAV: 6 -0.388308215540E+03 0.46041E+02 -0.15008E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.384853527832E+03 0.34547E+01 -0.13459E+01 336 0.781E+00 0.104E+01
DAV: 8 -0.383401519519E+03 0.14520E+01 -0.21873E+00 327 0.397E+00 0.440E+00
DAV: 9 -0.382857291195E+03 0.54423E+00 -0.17313E+00 345 0.246E+00 0.140E+00
DAV: 10 -0.382794628768E+03 0.62662E-01 -0.47755E-01 327 0.117E+00 0.857E-01
DAV: 11 -0.382761395433E+03 0.33233E-01 -0.56749E-02 336 0.598E-01 0.624E-01
DAV: 12 -0.382741622624E+03 0.19773E-01 -0.16368E-01 381 0.693E-01 0.920E-01
DAV: 13 -0.382721970774E+03 0.19652E-01 -0.21033E-01 336 0.539E-01 0.415E-01
DAV: 14 -0.382721222142E+03 0.74863E-03 -0.18724E-02 318 0.357E-01 0.424E-01
DAV: 15 -0.382723462082E+03 -0.22399E-02 -0.66054E-03 318 0.278E-01 0.367E-01
DAV: 16 -0.382727151404E+03 -0.36893E-02 -0.92504E-03 354 0.278E-01 0.118E-01
DAV: 17 -0.382736273324E+03 -0.91219E-02 -0.50644E-03 291 0.169E-01 0.223E-01
DAV: 18 -0.382742788777E+03 -0.65155E-02 -0.88996E-04 336 0.835E-02 0.173E-01
DAV: 19 -0.382751898247E+03 -0.91095E-02 -0.23637E-03 309 0.111E-01 0.430E-02
DAV: 20 -0.382757944615E+03 -0.60464E-02 -0.70205E-04 327 0.753E-02 0.365E-02
DAV: 21 -0.382761448949E+03 -0.35043E-02 -0.14657E-04 327 0.309E-02 0.236E-02
DAV: 22 -0.382765816780E+03 -0.43678E-02 -0.23395E-04 291 0.289E-02 0.147E-02
DAV: 23 -0.382768022411E+03 -0.22056E-02 -0.10825E-04 318 0.209E-02 0.132E-02
DAV: 24 -0.382768928047E+03 -0.90564E-03 -0.46341E-05 318 0.148E-02 0.134E-02
DAV: 25 -0.382769327979E+03 -0.39993E-03 -0.19798E-05 246 0.933E-03 0.117E-02
DAV: 26 -0.382769718836E+03 -0.39086E-03 -0.25127E-05 255 0.110E-02 0.102E-02
DAV: 27 -0.382769820309E+03 -0.10147E-03 -0.38256E-06 237 0.520E-03 0.567E-03
DAV: 28 -0.382769960638E+03 -0.14033E-03 -0.44781E-06 201 0.421E-03 0.313E-03
DAV: 29 -0.382770022634E+03 -0.61996E-04 -0.17493E-06 228 0.289E-03 0.171E-03
DAV: 30 -0.382770074286E+03 -0.51652E-04 -0.19176E-06 192 0.286E-03 0.246E-03
DAV: 31 -0.382770081148E+03 -0.68623E-05 -0.60552E-07 228 0.183E-03
1 F= -.38277008E+03 E0= -.38278259E+03 d E =0.375328E-01