iterations/neb0_image03_iter59_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 0.144727111145E+04 0.14473E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.223882650575E+03 -0.12234E+04 -0.11473E+04 435 0.163E+02
DAV: 3 -0.362591882407E+03 -0.58647E+03 -0.58327E+03 345 0.114E+02
DAV: 4 -0.433250080857E+03 -0.70658E+02 -0.70416E+02 309 0.509E+01
DAV: 5 -0.434843798072E+03 -0.15937E+01 -0.15911E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389006213823E+03 0.45838E+02 -0.14781E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385551015097E+03 0.34552E+01 -0.13560E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384087320134E+03 0.14637E+01 -0.24700E+00 345 0.390E+00 0.439E+00
DAV: 9 -0.383553380412E+03 0.53394E+00 -0.18395E+00 354 0.243E+00 0.142E+00
DAV: 10 -0.383455954590E+03 0.97426E-01 -0.17702E-01 327 0.115E+00 0.970E-01
DAV: 11 -0.383425625137E+03 0.30329E-01 -0.18668E-01 327 0.912E-01 0.840E-01
DAV: 12 -0.383405562464E+03 0.20063E-01 -0.33803E-02 327 0.512E-01 0.487E-01
DAV: 13 -0.383396023161E+03 0.95393E-02 -0.39042E-02 327 0.382E-01 0.545E-01
DAV: 14 -0.383391896012E+03 0.41271E-02 -0.11251E-01 336 0.410E-01 0.660E-01
DAV: 15 -0.383385676218E+03 0.62198E-02 -0.33281E-02 309 0.324E-01 0.435E-01
DAV: 16 -0.383387537053E+03 -0.18608E-02 -0.19504E-02 345 0.319E-01 0.400E-01
DAV: 17 -0.383392509688E+03 -0.49726E-02 -0.81967E-03 309 0.219E-01 0.213E-01
DAV: 18 -0.383402700269E+03 -0.10191E-01 -0.55504E-03 309 0.180E-01 0.144E-01
DAV: 19 -0.383413013475E+03 -0.10313E-01 -0.25829E-03 318 0.145E-01 0.861E-02
DAV: 20 -0.383420020761E+03 -0.70073E-02 -0.96424E-04 318 0.899E-02 0.790E-02
DAV: 21 -0.383425863450E+03 -0.58427E-02 -0.36042E-04 318 0.462E-02 0.532E-02
DAV: 22 -0.383431321838E+03 -0.54584E-02 -0.30009E-04 309 0.363E-02 0.265E-02
DAV: 23 -0.383433950053E+03 -0.26282E-02 -0.13601E-04 363 0.242E-02 0.260E-02
DAV: 24 -0.383435829094E+03 -0.18790E-02 -0.85462E-05 300 0.183E-02 0.147E-02
DAV: 25 -0.383436613075E+03 -0.78398E-03 -0.31419E-05 264 0.115E-02 0.160E-02
DAV: 26 -0.383437222844E+03 -0.60977E-03 -0.29693E-05 273 0.101E-02 0.583E-03
DAV: 27 -0.383437392140E+03 -0.16930E-03 -0.61025E-06 246 0.593E-03 0.399E-03
DAV: 28 -0.383437520302E+03 -0.12816E-03 -0.37881E-06 210 0.439E-03 0.372E-03
DAV: 29 -0.383437592600E+03 -0.72298E-04 -0.16413E-06 219 0.284E-03 0.316E-03
DAV: 30 -0.383437644556E+03 -0.51956E-04 -0.16785E-06 210 0.302E-03 0.103E-03
DAV: 31 -0.383437672585E+03 -0.28028E-04 -0.13058E-06 219 0.246E-03 0.237E-03
DAV: 32 -0.383437679558E+03 -0.69738E-05 -0.45475E-07 228 0.159E-03
1 F= -.38343768E+03 E0= -.38345417E+03 d E =0.494588E-01