Program PROJWFC v.5.0.1 starts on 1Jul2015 at 10:39:56 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), running on 4 processors R & G space division: proc/pool = 4 Info: using nr1, nr2, nr3 values from input Info: using nr1s, nr2s, nr3s values from input IMPORTANT: XC functional enforced from input : Exchange-correlation = PBE ( 1 4 3 4 0) EXX-fraction = 0.00 Any further DFT definition will be discarded Please, verify this is what you really want file Ge.rel-pbe-dn-rrkjus_psl.0.2.2.UPF: wavefunction(s) 3D renormalized Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 583 231 65 98577 24931 3822 Max 584 232 67 98592 24966 3827 Sum 2335 925 265 394341 99809 15303 Check: negative/imaginary core charge= -0.000019 0.000000 negative rho (up, down): 0.110E-02 0.000E+00 Gaussian broadening (read from input): ngauss,degauss= 0 0.000500 Calling projwave_nc .... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine d_matrix_so (5): D_S (j=1/2) for this symmetry operation is not unitary %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ...