iterations/neb0_image07_iter37_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 0.144630706367E+04 0.14463E+04 -0.44229E+04 330 0.697E+02
DAV: 2 0.235566616556E+03 -0.12107E+04 -0.11357E+04 408 0.163E+02
DAV: 3 -0.365941820507E+03 -0.60151E+03 -0.59792E+03 363 0.116E+02
DAV: 4 -0.432247817307E+03 -0.66306E+02 -0.66056E+02 309 0.478E+01
DAV: 5 -0.433694201133E+03 -0.14464E+01 -0.14436E+01 327 0.740E+00 0.426E+01
DAV: 6 -0.388123739363E+03 0.45570E+02 -0.14892E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.384709096302E+03 0.34146E+01 -0.12673E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.383252936357E+03 0.14562E+01 -0.21220E+00 327 0.385E+00 0.425E+00
DAV: 9 -0.382680807760E+03 0.57213E+00 -0.60361E-01 336 0.199E+00 0.101E+00
DAV: 10 -0.382639007287E+03 0.41800E-01 -0.40123E-01 354 0.110E+00 0.108E+00
DAV: 11 -0.382603882588E+03 0.35125E-01 -0.75600E-02 345 0.585E-01 0.606E-01
DAV: 12 -0.382578858963E+03 0.25024E-01 -0.28448E-02 327 0.424E-01 0.417E-01
DAV: 13 -0.382566625750E+03 0.12233E-01 -0.16629E-02 336 0.350E-01 0.297E-01
DAV: 14 -0.382560806261E+03 0.58195E-02 -0.31555E-02 318 0.382E-01 0.350E-01
DAV: 15 -0.382563498712E+03 -0.26925E-02 -0.23281E-02 327 0.296E-01 0.333E-01
DAV: 16 -0.382567127298E+03 -0.36286E-02 -0.37016E-03 318 0.194E-01 0.185E-01
DAV: 17 -0.382573627769E+03 -0.65005E-02 -0.28848E-03 291 0.160E-01 0.120E-01
DAV: 18 -0.382586642512E+03 -0.13015E-01 -0.44983E-03 309 0.172E-01 0.131E-01
DAV: 19 -0.382592232252E+03 -0.55897E-02 -0.13119E-03 327 0.977E-02 0.725E-02
DAV: 20 -0.382598771227E+03 -0.65390E-02 -0.43845E-04 300 0.525E-02 0.372E-02
DAV: 21 -0.382605074582E+03 -0.63034E-02 -0.29014E-04 309 0.384E-02 0.195E-02
DAV: 22 -0.382609294012E+03 -0.42194E-02 -0.19512E-04 300 0.288E-02 0.189E-02
DAV: 23 -0.382612273713E+03 -0.29797E-02 -0.16132E-04 282 0.233E-02 0.849E-03
DAV: 24 -0.382613376005E+03 -0.11023E-02 -0.48107E-05 300 0.124E-02 0.669E-03
DAV: 25 -0.382613930593E+03 -0.55459E-03 -0.19410E-05 219 0.984E-03 0.401E-03
DAV: 26 -0.382614145493E+03 -0.21490E-03 -0.70443E-06 237 0.551E-03 0.345E-03
DAV: 27 -0.382614291057E+03 -0.14556E-03 -0.42946E-06 192 0.509E-03 0.295E-03
DAV: 28 -0.382614407968E+03 -0.11691E-03 -0.50364E-06 210 0.489E-03 0.206E-03
DAV: 29 -0.382614426872E+03 -0.18903E-04 -0.12052E-06 237 0.337E-03 0.114E-03
DAV: 30 -0.382614446800E+03 -0.19929E-04 -0.22864E-06 210 0.416E-03 0.238E-03
DAV: 31 -0.382614459061E+03 -0.12260E-04 -0.60920E-07 201 0.280E-03 0.147E-03
DAV: 32 -0.382614467013E+03 -0.79526E-05 -0.10744E-06 219 0.262E-03
1 F= -.38261447E+03 E0= -.38263197E+03 d E =0.525044E-01