iterations/neb0_image07_iter73_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 0.145946453431E+04 0.14595E+04 -0.44312E+04 330 0.697E+02
DAV: 2 0.229267819675E+03 -0.12302E+04 -0.11530E+04 426 0.163E+02
DAV: 3 -0.365971509306E+03 -0.59524E+03 -0.59185E+03 354 0.115E+02
DAV: 4 -0.433912532494E+03 -0.67941E+02 -0.67696E+02 309 0.497E+01
DAV: 5 -0.435421988182E+03 -0.15095E+01 -0.15068E+01 327 0.764E+00 0.433E+01
DAV: 6 -0.388126254300E+03 0.47296E+02 -0.15191E+02 309 0.289E+01 0.213E+01
DAV: 7 -0.384463576577E+03 0.36627E+01 -0.13726E+01 336 0.801E+00 0.106E+01
DAV: 8 -0.383011661537E+03 0.14519E+01 -0.27976E+00 327 0.403E+00 0.446E+00
DAV: 9 -0.382405181477E+03 0.60648E+00 -0.68245E-01 327 0.214E+00 0.101E+00
DAV: 10 -0.382350469599E+03 0.54712E-01 -0.25378E-01 327 0.105E+00 0.105E+00
DAV: 11 -0.382333458485E+03 0.17011E-01 -0.15477E-01 327 0.481E-01 0.678E-01
DAV: 12 -0.382305492862E+03 0.27966E-01 -0.22272E-02 327 0.381E-01 0.416E-01
DAV: 13 -0.382284706598E+03 0.20786E-01 -0.21026E-02 318 0.464E-01 0.249E-01
DAV: 14 -0.382287327060E+03 -0.26205E-02 -0.99723E-03 336 0.329E-01 0.210E-01
DAV: 15 -0.382292144519E+03 -0.48175E-02 -0.35504E-03 309 0.253E-01 0.126E-01
DAV: 16 -0.382303254177E+03 -0.11110E-01 -0.59482E-03 291 0.240E-01 0.944E-02
DAV: 17 -0.382312255109E+03 -0.90009E-02 -0.29619E-03 318 0.164E-01 0.778E-02
DAV: 18 -0.382319284851E+03 -0.70297E-02 -0.71251E-04 309 0.702E-02 0.504E-02
DAV: 19 -0.382327819369E+03 -0.85345E-02 -0.47639E-04 336 0.487E-02 0.235E-02
DAV: 20 -0.382333428202E+03 -0.56088E-02 -0.28555E-04 318 0.373E-02 0.232E-02
DAV: 21 -0.382336532310E+03 -0.31041E-02 -0.23078E-04 309 0.352E-02 0.127E-02
DAV: 22 -0.382337596000E+03 -0.10637E-02 -0.30211E-05 264 0.142E-02 0.102E-02
DAV: 23 -0.382338992825E+03 -0.13968E-02 -0.81338E-05 273 0.192E-02 0.643E-03
DAV: 24 -0.382339410824E+03 -0.41800E-03 -0.14163E-05 237 0.887E-03 0.420E-03
DAV: 25 -0.382339666537E+03 -0.25571E-03 -0.10642E-05 219 0.786E-03 0.327E-03
DAV: 26 -0.382339796396E+03 -0.12986E-03 -0.41792E-06 210 0.451E-03 0.245E-03
DAV: 27 -0.382339903478E+03 -0.10708E-03 -0.34216E-06 210 0.415E-03 0.132E-03
DAV: 28 -0.382339952552E+03 -0.49074E-04 -0.31000E-06 210 0.417E-03 0.125E-03
DAV: 29 -0.382339968372E+03 -0.15820E-04 -0.91562E-07 228 0.249E-03 0.821E-04
DAV: 30 -0.382339981835E+03 -0.13463E-04 -0.74438E-07 210 0.192E-03 0.678E-04
DAV: 31 -0.382339986240E+03 -0.44047E-05 -0.21825E-07 228 0.108E-03
1 F= -.38233999E+03 E0= -.38235234E+03 d E =0.370593E-01