iterations/neb0_image04_iter13_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 0.144965428306E+04 0.14497E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.225408755484E+03 -0.12242E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362345648919E+03 -0.58775E+03 -0.58443E+03 345 0.114E+02
DAV: 4 -0.433307579148E+03 -0.70962E+02 -0.70701E+02 318 0.509E+01
DAV: 5 -0.434895495256E+03 -0.15879E+01 -0.15855E+01 318 0.785E+00 0.426E+01
DAV: 6 -0.389017454107E+03 0.45878E+02 -0.14761E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385567765409E+03 0.34497E+01 -0.13497E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384105105623E+03 0.14627E+01 -0.21665E+00 327 0.385E+00 0.434E+00
DAV: 9 -0.383565597751E+03 0.53951E+00 -0.16179E+00 327 0.242E+00 0.134E+00
DAV: 10 -0.383493570501E+03 0.72027E-01 -0.26089E-01 336 0.116E+00 0.105E+00
DAV: 11 -0.383474876190E+03 0.18694E-01 -0.31886E-01 345 0.673E-01 0.101E+00
DAV: 12 -0.383457091862E+03 0.17784E-01 -0.31229E-01 345 0.766E-01 0.938E-01
DAV: 13 -0.383431208033E+03 0.25884E-01 -0.74018E-02 354 0.564E-01 0.585E-01
DAV: 14 -0.383421642187E+03 0.95658E-02 -0.34268E-02 327 0.364E-01 0.397E-01
DAV: 15 -0.383418700958E+03 0.29412E-02 -0.29091E-02 318 0.438E-01 0.350E-01
DAV: 16 -0.383420209684E+03 -0.15087E-02 -0.66327E-03 318 0.270E-01 0.180E-01
DAV: 17 -0.383426272602E+03 -0.60629E-02 -0.42310E-03 300 0.200E-01 0.147E-01
DAV: 18 -0.383433244377E+03 -0.69718E-02 -0.28101E-03 354 0.179E-01 0.109E-01
DAV: 19 -0.383444109914E+03 -0.10866E-01 -0.61127E-03 336 0.184E-01 0.227E-01
DAV: 20 -0.383442502611E+03 0.16073E-02 -0.13078E-03 327 0.925E-02 0.942E-02
DAV: 21 -0.383447659419E+03 -0.51568E-02 -0.53990E-04 291 0.652E-02 0.968E-02
DAV: 22 -0.383454728414E+03 -0.70690E-02 -0.79873E-04 309 0.712E-02 0.939E-02
DAV: 23 -0.383459607587E+03 -0.48792E-02 -0.12909E-03 318 0.631E-02 0.496E-02
DAV: 24 -0.383461979547E+03 -0.23720E-02 -0.27221E-04 309 0.367E-02 0.340E-02
DAV: 25 -0.383463863193E+03 -0.18836E-02 -0.10072E-04 318 0.225E-02 0.373E-02
DAV: 26 -0.383466086182E+03 -0.22230E-02 -0.10767E-04 300 0.246E-02 0.150E-02
DAV: 27 -0.383466926084E+03 -0.83990E-03 -0.62831E-05 318 0.157E-02 0.125E-02
DAV: 28 -0.383467459845E+03 -0.53376E-03 -0.15387E-05 228 0.971E-03 0.652E-03
DAV: 29 -0.383467997440E+03 -0.53759E-03 -0.27797E-05 273 0.941E-03 0.721E-03
DAV: 30 -0.383468184150E+03 -0.18671E-03 -0.54952E-06 228 0.619E-03 0.475E-03
DAV: 31 -0.383468266467E+03 -0.82316E-04 -0.45794E-06 219 0.510E-03 0.329E-03
DAV: 32 -0.383468288162E+03 -0.21696E-04 -0.11856E-06 237 0.300E-03 0.179E-03
DAV: 33 -0.383468341901E+03 -0.53739E-04 -0.21527E-06 210 0.343E-03 0.173E-03
DAV: 34 -0.383468356152E+03 -0.14251E-04 -0.60204E-07 228 0.196E-03 0.133E-03
DAV: 35 -0.383468372458E+03 -0.16305E-04 -0.97064E-07 201 0.256E-03 0.102E-03
DAV: 36 -0.383468376899E+03 -0.44411E-05 -0.29556E-07 228 0.127E-03
1 F= -.38346838E+03 E0= -.38348511E+03 d E =0.502121E-01