Program NEB v.4.3.G starts on 11Apr2013 at 13:34:53 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote.php Parallel version (MPI & OpenMP), running on 4 processor cores Number of MPI processes: 1 Threads/MPI process: 4 Number of GPUs per node: 1 GPUs used: 1 GPUs per process: 1 Warning: card &IONS ignored Warning: card / ignored file HUSPBE.RRKJ3: wavefunction(s) nX renormalized Warning: card &IONS ignored Warning: card / ignored file HUSPBE.RRKJ3: wavefunction(s) nX renormalized initial path length = 4.2553 bohr initial inter-image distance = 0.7092 bohr string_method = neb restart_mode = from_scratch opt_scheme = broyden num_of_images = 7 nstep_path = 20 CI_scheme = auto first_last_opt = F use_freezing = F ds = 2.0000 a.u. k_max = 0.3000 a.u. k_min = 0.2000 a.u. suggested k_max = 0.1542 a.u. suggested k_min = 0.1028 a.u. path_thr = 0.1000 eV / A ------------------------------ iteration 1 ------------------------------ tcpu = 0.0 self-consistency for image 1 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% from rdiaghg : error # 15 diagonalization (DSYGV*) failed %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ...